diff --git a/Sulfamerazine/Form_one_enthalpy_of_fusion.csv b/Sulfamerazine/Form_one_enthalpy_of_fusion.csv index 92eda56..2b7041a 100644 --- a/Sulfamerazine/Form_one_enthalpy_of_fusion.csv +++ b/Sulfamerazine/Form_one_enthalpy_of_fusion.csv @@ -1,21 +1,18 @@ -SLFNMA02,,,,,,, -Identifier,Property,Value(kJ/mol),Std,N,Name,Reference,Comment -1,Enthalpy of fusion,39.28,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min -2,Enthalpy of fusion,38.67,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min -3,Enthalpy of fusion,37.95,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min -4,Enthalpy of fusion,37.66,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min -5,Enthalpy of fusion,37.37,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/min -6,Enthalpy of fusion,38.14,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition -7,Enthalpy of fusion,38.48,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition -8,Enthalpy of fusion,37.64,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition -9,Enthalpy of fusion,39.57,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition -10,Enthalpy of fusion,37.98,,1,2024_COST_Data,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition -11,Enthalpy of fusion,40.8,0.2,3,Ref_data,https://doi.org/10.1002/jps.10100, -12,Enthalpy of fusion,36.3,1.0,6,Ref_data,https://doi.org/10.1002/jps.2600610104,10K/min -13,Enthalpy of fusion,45.80,,1,Ref_data,https://doi.org/10.1016/0040-6031(83)80280-9,2K/min -14,Enthalpy of fusion,41.34,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,2K/min -15,Enthalpy of fusion,40.62,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,5K/min -16,Enthalpy of fusion,40.12,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,10K/min -17,Enthalpy of fusion,39.73,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,40K/min -18,Enthalpy of fusion,39.04,,1,Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058,100K/min -19,Enthalpy of fusion,39.4,,1,Ref_data,https://doi.org/10.1107/S0108768192000910,Theenthalpyandentropyoffusionfromrepeatedrunsyieldedrangesof38.5-40.3kJ/moland75.6-79.1J/K/molrespectively +SLFNMA02,,,,,,,,,,,,,,,,,,, +Identifier,Property,Value(kJ/mol),Std,N,Name,Reference,Comment,,,,,,,,,,,, +1,Enthalpy of fusion,39.28,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,, +2,Enthalpy of fusion,38.67,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,, +3,Enthalpy of fusion,37.95,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,, +4,Enthalpy of fusion,37.66,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,, +5,Enthalpy of fusion,37.37,,1,Wood,W_Wood_Innsbruck_2024,10K/min,,,,,,,,,,,, +6,Enthalpy of fusion,38.14,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,, +7,Enthalpy of fusion,38.48,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,, +8,Enthalpy of fusion,37.64,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,, +9,Enthalpy of fusion,39.57,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,, +10,Enthalpy of fusion,37.98,,1,Wood,W_Wood_Innsbruck_2024,10K/minafterFII->Itransition,,,,,,,,,,,, +11,Enthalpy of fusion,40.8,0.2,3,Zhang_02,https://doi.org/10.1002/jps.10100,,,,,,,,,,,,, +12,Enthalpy of fusion,36.3,1,6,Yang_72,https://doi.org/10.1002/jps.2600610104,10K/min,,,,,,,,,,,, +13,Enthalpy of fusion,45.8,,1,Khattab_83,https://doi.org/10.1016/0040-6031(83)80280-9,2K/min,,,,,,,,,,,, +14,Enthalpy of fusion,40.17,0.872410454,5,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058,2K/min,,,,,,,,,,,, +15,Enthalpy of fusion,39.4,,1,Caria_92,https://doi.org/10.1107/S0108768192000910,Theenthalpyandentropyoffusionfromrepeatedrunsyieldedrangesof38.5-40.3kJ/moland75.6-79.1J/K/molrespectively,,,,,,,,,,,, +16,Enthalpy of fusion,41.1,,1,Maury_86,https://doi.org/10.1002/jps.2600740411,,,,,,,,,,,, \ No newline at end of file diff --git a/Sulfamerazine/Form_one_melting_point.csv b/Sulfamerazine/Form_one_melting_point.csv index 8802220..e050586 100644 --- a/Sulfamerazine/Form_one_melting_point.csv +++ b/Sulfamerazine/Form_one_melting_point.csv @@ -1,19 +1,17 @@ SLFNMA02,,,,,,, -Identifier," Property"," Value (K)"," Std"," N", Name, Reference ,"Comment" -1, Melting point, 236.1, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min -2, Melting point, 236.1, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min -3, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min -4, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min -5, Melting point, 236.2, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min -6, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition -7, Melting point, 236.0, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition -8, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition -9, Melting point, 236.6, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition -10, Melting point, 236.5, , 1, 2024_COST_Data, W_Wood_Innsbruck_2024, 10 K/min after FII->I transition -11, Melting point, 237.05, 0.04, 3, Ref_data, https://doi.org/10.1002/jps.10100, -12, Melting point, 236, , , Ref_data, https://doi.org/10.1002/jps.2600610104, 10 K/min -13, Melting point, 236.0, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min -14, Melting point, 236.2, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min -15, Melting point, 236.8, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min -16, Melting point, 236.4, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min -17, Melting point, 236.4, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min \ No newline at end of file +Identifier,Property,Value (K),Std, N, Name, Reference,Comment +1,Melting point,509.25,,1,Wood,W_Wood_Innsbruck_2024,10 K/min +2,Melting point,509.25,,1,Wood,W_Wood_Innsbruck_2024,10 K/min +3,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min +4,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min +5,Melting point,509.35,,1,Wood,W_Wood_Innsbruck_2024,10 K/min +6,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition +7,Melting point,509.15,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition +8,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition +9,Melting point,509.75,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition +10,Melting point,509.65,,1,Wood,W_Wood_Innsbruck_2024,10 K/min after FII->I transition +11,Melting point,510.2,0.04,3,Zhang_02,https://doi.org/10.1002/jps.10100, +12,Melting point,509.15,,1,Yang_72, https://doi.org/10.1002/jps.2600610104, 10 K/min +13,Melting point,509.51,0.296647939,4,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min +14,Melting point,506.35,,1,Khattab_83,https://doi.org/10.1016/0040-6031(83)80280-9, +15,Melting point,509.15,,1,Kuhnert-Brandst�tter_69,https://doi.org/10.1007/BF01271407, diff --git a/Sulfamerazine/Form_two_enthalpy_of_fusion.csv b/Sulfamerazine/Form_two_enthalpy_of_fusion.csv index 59b8332..d91c4f3 100644 --- a/Sulfamerazine/Form_two_enthalpy_of_fusion.csv +++ b/Sulfamerazine/Form_two_enthalpy_of_fusion.csv @@ -1,6 +1,3 @@ SLFNMA01,,,,,,, -Identifier," Property"," Value (kJ/mol)"," Std"," N", Name, Reference ,"Comment" -1, Melting point, 0.05, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min -2, Melting point, 0.06, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min -3, Melting point, 0.41, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min -4, Melting point, 1.14, , 1, Ref_data, https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min \ No newline at end of file +Identifier," Property"," Value (kJ/mol)"," Std"," N"," Name"," Reference ",Comment +1,Enthalpy of Fusion,0.415,0.511501059,4,Li_11," https://doi.org/10.1016/j.ijpharm.2011.05.058", Combined different heating rates \ No newline at end of file diff --git a/Sulfamerazine/Form_two_enthalpy_of_transition.csv b/Sulfamerazine/Form_two_enthalpy_of_transition.csv index ba0bf86..331aaed 100644 --- a/Sulfamerazine/Form_two_enthalpy_of_transition.csv +++ b/Sulfamerazine/Form_two_enthalpy_of_transition.csv @@ -1,24 +1,20 @@ SLFNMA01,,,,,,, Identifier,Property,Value (kJ/mol), Std," N", Name," Reference "," Comment" -1, Enthalpy of transition,2.95,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min" -2, Enthalpy of transition,2.94,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min" -3, Enthalpy of transition,2.84,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min" -4, Enthalpy of transition,2.93,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min" -5, Enthalpy of transition,2.78,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 10 K/min" -6, Enthalpy of transition,2.91,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min" -7, Enthalpy of transition,2.91,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min" -8, Enthalpy of transition,2.96,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min" -9, Enthalpy of transition,3.03,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min" -10, Enthalpy of transition,2.93,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 5 K/min" -11, Enthalpy of transition,2.58,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min" -12, Enthalpy of transition,2.53,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min" -13, Enthalpy of transition,2.56,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min" -14, Enthalpy of transition,2.52,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min" -15, Enthalpy of transition,2.41,,1, 2024_COST_Data,W_Wood_Innsbruck_2024," 1 K/min" -16, Enthalpy of transition,3.12,0.01,3, Ref_data,https://doi.org/10.1002/jps.10100, -17, Enthalpy of transition,1.4, ,1, Ref_data,https://doi.org/10.1107/S0108768192000910, 5 K/min -18, Enthalpy of transition,2.96,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 2 K/min -19, Enthalpy of transition,2.88,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 5 K/min -20, Enthalpy of transition,2.65,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 10 K/min -21, Enthalpy of transition,2.6,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 40 K/min -22, Enthalpy of transition,2.54,,1, Ref_data,https://doi.org/10.1016/j.ijpharm.2011.05.058, 100 K/min +1, Enthalpy of transition,2.95,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min" +2, Enthalpy of transition,2.94,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min" +3, Enthalpy of transition,2.84,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min" +4, Enthalpy of transition,2.93,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min" +5, Enthalpy of transition,2.78,,1,Wood,W_Wood_Innsbruck_2024," 10 K/min" +6, Enthalpy of transition,2.91,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min" +7, Enthalpy of transition,2.91,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min" +8, Enthalpy of transition,2.96,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min" +9, Enthalpy of transition,3.03,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min" +10, Enthalpy of transition,2.93,,1,Wood,W_Wood_Innsbruck_2024," 5 K/min" +11, Enthalpy of transition,2.58,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min" +12, Enthalpy of transition,2.53,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min" +13, Enthalpy of transition,2.56,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min" +14, Enthalpy of transition,2.52,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min" +15, Enthalpy of transition,2.41,,1,Wood,W_Wood_Innsbruck_2024," 1 K/min" +16, Enthalpy of transition,3.12,0.01,3,Zhang_02,https://doi.org/10.1002/jps.10100, +17, Enthalpy of transition,1.4, ,1,Caria_92,https://doi.org/10.1107/S0108768192000910, 5 K/min +18, Enthalpy of transition,2.726,0.183521116,5,Li_11,https://doi.org/10.1016/j.ijpharm.2011.05.058, Combined results from different heating rates diff --git a/Sulfamerazine/Form_two_melting_point.csv b/Sulfamerazine/Form_two_melting_point.csv index a082f9f..6826fc0 100644 --- a/Sulfamerazine/Form_two_melting_point.csv +++ b/Sulfamerazine/Form_two_melting_point.csv @@ -1,7 +1,4 @@ -SLFNMA01,,,,,,, -Identifier," Property"," Value (K)"," Std"," N"," Name"," Reference ",Comment -1," Melting point"," 213.0"," "," 1"," Ref_data"," https://doi.org/10.1002/jps.10100"," " -2," Melting point"," 212.6", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 5 K/min -3," Melting point"," 212.8", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 10 K/min -4," Melting point"," 212.5", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 40 K/min -5," Melting point"," 211.9", ," 1"," Ref_data"," https://doi.org/10.1016/j.ijpharm.2011.05.058", 100 K/min +SLFNMA01,,,,,,,,,,, +Identifier," Property"," Value (K)"," Std"," N"," Name"," Reference ",Comment,,,, +1," Melting point",486.15,,1,Zhang_02," https://doi.org/10.1002/jps.10100"," ",,,, +2," Melting point",485.60,0.387298335,4,Li_11," https://doi.org/10.1016/j.ijpharm.2011.05.058",collected results at different heating rates,,,, \ No newline at end of file