Fumaric acid

Compound Structure

CAS Number: 110-17-8

Molecular Mass: 116.07 g/mol

Formula: C4H4O4

Smiles: O=C(O)/C=C/C(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 279.0 - 13.45 [426]
1-Propanol 285.0 - 16.21 [426]
1-Propanol 291.0 - 19.17 [426]
1-Propanol 297.0 - 22.35 [426]
1-Propanol 303.0 - 25.75 [426]
1-Propanol 309.0 - 29.44 [426]
1-Propanol 315.0 - 33.38 [426]
1-Propanol 321.0 - 37.61 [426]
1-Propanol 327.0 - 42.16 [426]
1-Propanol 333.0 - 47.04 [426]
1-Propanol 339.0 - 54.4 [426]
1-Propanol 345.0 - 61.01 [426]
1-Propanol 351.8 - 74.54 [426]
Acetone 279.0 - 5.561 [426]
Acetone 285.0 - 6.728 [426]
Acetone 291.0 - 7.939 [426]
Acetone 297.0 - 9.214 [426]
Acetone 303.0 - 10.55 [426]
Acetone 309.0 - 11.94 [426]
Acetone 315.0 - 13.38 [426]
Acetone 321.0 - 14.88 [426]
Acetone 327.0 - 16.44 [426]
Acetone 333.0 - 18.1 [426]
Ethanol 279.0 - 25.7 [426]
Ethanol 285.0 - 28.56 [426]
Ethanol 291.0 - 31.76 [426]
Ethanol 297.0 - 35.96 [426]
Ethanol 303.0 - 41.18 [426]
Ethanol 309.0 - 46.58 [426]
Ethanol 315.0 - 53.17 [426]
Ethanol 321.0 - 60.63 [426]
Ethanol 327.0 - 68.23 [426]
Ethanol 333.0 - 75.75 [426]
Ethanol 343.0 - 88.79 [426]
Isopropanol 279.0 - 17.02 [426]
Isopropanol 285.0 - 21.39 [426]
Isopropanol 291.0 - 26.07 [426]
Isopropanol 297.0 - 31.19 [426]
Isopropanol 303.0 - 36.26 [426]
Isopropanol 309.0 - 41.76 [426]
Isopropanol 315.0 - 47.31 [426]
Isopropanol 321.0 - 53.2 [426]
Isopropanol 327.0 - 59.42 [426]
Isopropanol 333.0 - 65.92 [426]
Isopropanol 342.0 - 81.57 [426]
Isopropanol 351.0 - 99.71 [426]
Water 279.0 - 0.8801 [426]
Water 285.0 - 2.809 [426]
Water 291.0 - 5.238 [426]
Water 297.0 - 8.049 [426]
Water 303.0 - 10.98 [426]
Water 309.0 - 14.17 [426]
Water 315.0 - 16.93 [426]
Water 321.0 - 20.93 [426]
Water 327.0 - 26.39 [426]
Water 333.0 - 34.39 [426]
Water 339.0 - 39.55 [426]
Water 353.0 - 55.84 [426]

Molecule 3D descriptors

Descriptor Value
PMI1 87.2998
PMI2 517.5315
PMI3 604.8313
NPR1 0.1443
NPR2 0.8557
RadiusOfGyration 2.2827
InertialShapeFactor 0.0098
Eccentricity 0.9895
Asphericity 0.6295
SpherocityIndex 0.0000
PBF 0.0000