Citric acid

Compound Structure

CAS Number: 77-92-9

Molecular Mass: 192.12 g/mol

Formula: C6H8O7

Smiles: O=C(O)CC(O)(CC(=O)O)C(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 303.2 - 140.0 [37]
1,4-Dioxane 308.2 - 195.0 [37]
1,4-Dioxane 313.2 - 280.9 [37]
1,4-Dioxane 318.2 - 328.0 [37]
1,4-Dioxane 323.2 - 360.7 [37]
1,4-Dioxane 328.2 - 394.4 [37]
1,4-Dioxane 333.2 - 422.6 [37]
1-Butanol 288.15 - 131.8 [39]
1-Butanol 291.15 - 149.2 [39]
1-Butanol 294.15 - 169.1 [39]
1-Butanol 297.15 - 191.3 [39]
1-Butanol 299.15 - 207.8 [39]
1-Butanol 301.15 - 225.8 [39]
1-Butanol 303.15 - 245.4 [39]
1-Butanol 305.15 - 266.7 [39]
1-Butanol 307.15 - 288.6 [39]
1-Butanol 309.15 - 315.1 [39]
1-Butanol 311.15 - 342.6 [39]
1-Butanol 313.15 - 373.1 [39]
1-Butanol 315.15 - 406.4 [39]
1-Butanol 317.15 - 442.0 [39]
1-Butanol 319.15 - 482.7 [39]
1-Butanol 323.15 - 578.5 [39]
1-Butanol 327.15 - 690.9 [39]
1-Butanol 330.15 - 799.4 [39]
1-Butanol 333.15 - 918.4 [39]
1-Propanol 293.7 - 970.6 [38]
1-Propanol 303.3 - 985.9 [38]
1-Propanol 313.4 - 1007.5 [38]
Acetone 288.15 - 154.8 [39]
Acetone 291.15 - 177.5 [39]
Acetone 294.15 - 203.4 [39]
Acetone 297.15 - 232.9 [39]
Acetone 299.15 - 255.1 [39]
Acetone 301.15 - 279.4 [39]
Acetone 303.15 - 305.9 [39]
Acetone 305.15 - 335.5 [39]
Acetone 307.15 - 367.3 [39]
Acetone 309.15 - 403.0 [39]
Acetone 311.15 - 441.6 [39]
Acetone 313.15 - 485.4 [39]
Acetone 315.15 - 533.2 [39]
Acetone 317.15 - 586.9 [39]
Acetone 319.15 - 646.4 [39]
Acetone 323.15 - 787.5 [39]
Acetone 327.15 - 967.0 [39]
Acetone 330.15 - 1135.1 [39]
Acetone 333.15 - 1341.8 [39]
Acetonitrile 303.2 - 178.0 [37]
Acetonitrile 308.2 - 209.0 [37]
Acetonitrile 313.2 - 235.0 [37]
Acetonitrile 318.2 - 242.0 [37]
Acetonitrile 323.2 - 260.0 [37]
Acetonitrile 328.2 - 286.0 [37]
Acetonitrile 333.2 - 300.0 [37]
Ethanol 288.15 - 1080.5 [39]
Ethanol 291.15 - 1152.2 [39]
Ethanol 293.7 - 1086.3 [38]
Ethanol 294.15 - 1221.4 [39]
Ethanol 297.15 - 1291.3 [39]
Ethanol 299.15 - 1332.7 [39]
Ethanol 301.15 - 1373.4 [39]
Ethanol 303.15 - 1413.7 [39]
Ethanol 303.2 - 175.0 [37]
Ethanol 303.3 - 1200.0 [38]
Ethanol 305.15 - 1453.5 [39]
Ethanol 307.15 - 1489.9 [39]
Ethanol 308.2 - 218.0 [37]
Ethanol 309.15 - 1522.7 [39]
Ethanol 311.15 - 1555.8 [39]
Ethanol 313.15 - 1583.9 [39]
Ethanol 313.2 - 239.0 [37]
Ethanol 313.4 - 1255.5 [38]
Ethanol 315.15 - 1611.7 [39]
Ethanol 317.15 - 1628.4 [39]
Ethanol 318.2 - 263.0 [37]
Ethanol 319.15 - 1652.5 [39]
Ethanol 323.15 - 1682.4 [39]
Ethanol 323.2 - 307.0 [37]
Ethanol 327.15 - 1700.2 [39]
Ethanol 328.2 - 387.2 [37]
Ethanol 330.15 - 1704.8 [39]
Ethanol 333.15 - 1700.7 [39]
Ethanol 333.2 - 449.5 [37]
Isopropanol 303.2 - 40.4 [37]
Isopropanol 308.2 - 73.8 [37]
Isopropanol 313.2 - 135.0 [37]
Isopropanol 318.2 - 167.0 [37]
Isopropanol 323.2 - 223.0 [37]
Isopropanol 328.2 - 271.2 [37]
Isopropanol 333.2 - 321.0 [37]
Tetrahydrofuran 303.2 - 349.0 [37]
Tetrahydrofuran 308.2 - 365.2 [37]
Tetrahydrofuran 313.2 - 375.0 [37]
Tetrahydrofuran 318.2 - 417.0 [37]
Tetrahydrofuran 323.2 - 486.1 [37]
Tetrahydrofuran 328.2 - 590.2 [37]
Tetrahydrofuran 333.2 - 637.3 [37]
Toluene 288.15 - 109.2 [39]
Toluene 291.15 - 115.7 [39]
Toluene 294.15 - 122.5 [39]
Toluene 297.15 - 129.7 [39]
Toluene 299.15 - 134.6 [39]
Toluene 301.15 - 139.8 [39]
Toluene 303.15 - 145.1 [39]
Toluene 305.15 - 150.6 [39]
Toluene 307.15 - 156.3 [39]
Toluene 309.15 - 162.1 [39]
Toluene 311.15 - 168.2 [39]
Toluene 313.15 - 174.5 [39]
Toluene 315.15 - 181.0 [39]
Toluene 317.15 - 187.7 [39]
Toluene 319.15 - 194.6 [39]
Toluene 323.15 - 209.1 [39]
Toluene 327.15 - 224.7 [39]
Toluene 330.15 - 237.3 [39]
Toluene 333.15 - 250.4 [39]
Water 278.15 - 1065.5 [40]
Water 283.15 - 1181.3 [40]
Water 288.15 - 1320.0 [40]
Water 288.15 - 1323.6 [39]
Water 291.15 - 1409.7 [39]
Water 293.15 - 1444.8 [40]
Water 293.7 - 1484.3 [38]
Water 294.15 - 1499.6 [39]
Water 297.15 - 1590.6 [39]
Water 298.15 - 1618.4 [40]
Water 299.15 - 1654.8 [39]
Water 301.15 - 1719.5 [39]
Water 303.15 - 1867.9 [40]
Water 303.15 - 1793.5 [39]
Water 303.2 - 653.0 [37]
Water 303.3 - 1885.0 [38]
Water 305.15 - 1865.3 [39]
Water 307.15 - 1937.8 [39]
Water 308.15 - 2044.8 [40]
Water 308.2 - 857.0 [37]
Water 309.15 - 2009.5 [39]
Water 311.15 - 2089.5 [39]
Water 313.15 - 2147.4 [40]
Water 313.15 - 2170.0 [39]
Water 313.2 - 1060.0 [37]
Water 313.4 - 2179.6 [38]
Water 315.15 - 2249.0 [39]
Water 317.15 - 2331.6 [39]
Water 318.2 - 1382.0 [37]
Water 318.65 - 2353.8 [40]
Water 319.15 - 2419.9 [39]
Water 322.2 - 2408.1 [38]
Water 323.15 - 2478.0 [40]
Water 323.15 - 2596.5 [39]
Water 323.2 - 1725.0 [37]
Water 327.15 - 2785.5 [39]
Water 328.15 - 2613.2 [40]
Water 328.2 - 1938.0 [37]
Water 330.15 - 2934.4 [39]
Water 333.1 - 2715.6 [38]
Water 333.15 - 2792.3 [40]
Water 333.15 - 3087.9 [39]
Water 333.2 - 2203.0 [37]
Water 338.15 - 3016.8 [40]

Molecule 3D descriptors

Descriptor Value
PMI1 418.2170
PMI2 908.4791
PMI3 1059.0118
NPR1 0.3949
NPR2 0.8579
RadiusOfGyration 2.4917
InertialShapeFactor 0.0021
Eccentricity 0.9187
Asphericity 0.2367
SpherocityIndex 0.3723
PBF 0.7289