Malic acid

Compound Structure

CAS Number: 6915-15-7

Molecular Mass: 134.09 g/mol

Formula: C4H6O5

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

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 303.2 - 253.0 [37]
1,4-Dioxane 308.2 - 279.6 [37]
1,4-Dioxane 313.2 - 293.0 [37]
1,4-Dioxane 318.2 - 308.9 [37]
1,4-Dioxane 323.2 - 327.2 [37]
1,4-Dioxane 328.2 - 359.4 [37]
1,4-Dioxane 333.2 - 400.0 [37]
Acetonitrile 303.2 - 18.0 [37]
Acetonitrile 308.2 - 23.0 [37]
Acetonitrile 313.2 - 27.6 [37]
Acetonitrile 318.2 - 29.9 [37]
Acetonitrile 323.2 - 37.3 [37]
Acetonitrile 328.2 - 42.0 [37]
Acetonitrile 333.2 - 51.7 [37]
Ethanol 298.15 - 279.7 [41]
Ethanol 303.15 - 310.0 [41]
Ethanol 303.2 - 203.0 [37]
Ethanol 308.15 - 355.7 [41]
Ethanol 308.2 - 226.0 [37]
Ethanol 313.15 - 390.4 [41]
Ethanol 313.2 - 252.4 [37]
Ethanol 318.15 - 441.5 [41]
Ethanol 318.2 - 290.3 [37]
Ethanol 323.15 - 500.9 [41]
Ethanol 323.2 - 305.8 [37]
Ethanol 328.15 - 576.4 [41]
Ethanol 328.2 - 327.1 [37]
Ethanol 333.15 - 644.8 [41]
Ethanol 333.2 - 339.8 [37]
Isopropanol 303.2 - 64.7 [37]
Isopropanol 308.2 - 81.2 [37]
Isopropanol 313.2 - 99.7 [37]
Isopropanol 318.2 - 130.0 [37]
Isopropanol 323.2 - 176.0 [37]
Isopropanol 328.2 - 225.4 [37]
Isopropanol 333.2 - 259.2 [37]
Tetrahydrofuran 303.2 - 276.4 [37]
Tetrahydrofuran 308.2 - 299.3 [37]
Tetrahydrofuran 313.2 - 379.9 [37]
Tetrahydrofuran 318.2 - 397.2 [37]
Tetrahydrofuran 323.2 - 445.4 [37]
Tetrahydrofuran 328.2 - 484.8 [37]
Tetrahydrofuran 333.2 - 531.0 [37]
Water 278.15 - 941.6 [40]
Water 283.15 - 1028.2 [40]
Water 288.15 - 1128.9 [40]
Water 293.15 - 1264.1 [40]
Water 298.15 - 1390.5 [40]
Water 298.15 - 1310.0 [41]
Water 303.15 - 1497.5 [40]
Water 303.15 - 1422.0 [41]
Water 303.2 - 523.0 [37]
Water 308.15 - 1635.0 [40]
Water 308.15 - 1602.0 [41]
Water 308.2 - 677.0 [37]
Water 313.15 - 1818.7 [40]
Water 313.15 - 1800.0 [41]
Water 313.2 - 873.3 [37]
Water 318.15 - 1995.0 [41]
Water 318.2 - 1118.0 [37]
Water 318.65 - 1951.7 [40]
Water 323.15 - 2212.9 [40]
Water 323.15 - 2184.0 [41]
Water 323.2 - 1335.0 [37]
Water 328.15 - 2422.2 [40]
Water 328.15 - 2433.0 [41]
Water 328.2 - 1500.0 [37]
Water 333.15 - 2694.4 [40]
Water 333.15 - 2720.0 [41]
Water 333.2 - 1646.0 [37]
Water 338.15 - 3037.8 [40]

Molecule 3D descriptors

Descriptor Value
PMI1 183.2294
PMI2 470.9523
PMI3 563.2885
NPR1 0.3253
NPR2 0.8361
RadiusOfGyration 2.1307
InertialShapeFactor 0.0046
Eccentricity 0.9456
Asphericity 0.3181
SpherocityIndex 0.2920
PBF 0.4897