Dimethyl fumarate

Compound Structure

CAS Number: 624-49-7

Molecular Mass: 144.12 g/mol

Formula: C6H8O4

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

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 295.2 - 9.739 [396]
1-Propanol 299.95 - 12.88 [396]
1-Propanol 304.35 - 17.41 [396]
1-Propanol 307.85 - 21.82 [396]
1-Propanol 310.7 - 26.51 [396]
1-Propanol 313.2 - 33.36 [396]
1-Propanol 318.7 - 48.75 [396]
1-Propanol 323.65 - 71.59 [396]
1-Propanol 328.95 - 105.0 [396]
1-Propanol 332.5 - 136.2 [396]
1-Propanol 335.65 - 175.7 [396]
1-Propanol 338.15 - 219.0 [396]
1-Propanol 341.3 - 288.8 [396]
Ethanol 289.95 - 8.149 [396]
Ethanol 294.45 - 11.52 [396]
Ethanol 297.55 - 15.02 [396]
Ethanol 303.15 - 22.39 [396]
Ethanol 307.3 - 29.98 [396]
Ethanol 311.1 - 38.51 [396]
Ethanol 314.75 - 48.95 [396]
Ethanol 318.65 - 62.35 [396]
Ethanol 322.55 - 80.55 [396]
Ethanol 327.35 - 107.1 [396]
Ethanol 331.85 - 145.7 [396]
Ethanol 336.05 - 191.1 [396]
Isopropanol 295.8 - 10.06 [396]
Isopropanol 300.95 - 14.07 [396]
Isopropanol 304.35 - 18.23 [396]
Isopropanol 306.7 - 21.97 [396]
Isopropanol 309.85 - 27.8 [396]
Isopropanol 312.55 - 34.3 [396]
Isopropanol 316.85 - 47.07 [396]
Isopropanol 320.0 - 60.11 [396]
Isopropanol 322.8 - 75.12 [396]
Isopropanol 326.25 - 92.7 [396]
Isopropanol 329.75 - 121.2 [396]
Isopropanol 332.85 - 153.5 [396]
Isopropanol 335.8 - 198.8 [396]
Methanol 297.45 - 26.71 [396]
Methanol 301.0 - 33.74 [396]
Methanol 305.55 - 43.15 [396]
Methanol 309.17 - 53.86 [396]
Methanol 312.85 - 66.78 [396]
Methanol 316.45 - 81.93 [396]
Methanol 319.37 - 99.06 [396]
Methanol 322.28 - 118.9 [396]
Methanol 325.93 - 142.3 [396]
Methanol 329.15 - 175.9 [396]
Methanol 332.3 - 216.3 [396]
Methanol 337.65 - 296.7 [396]
Propylene Glycol 302.75 - 0.7381 [396]
Propylene Glycol 307.05 - 1.55 [396]
Propylene Glycol 310.55 - 2.779 [396]
Propylene Glycol 314.25 - 4.938 [396]
Propylene Glycol 316.75 - 7.093 [396]
Propylene Glycol 320.05 - 11.35 [396]
Propylene Glycol 323.25 - 17.18 [396]
Propylene Glycol 327.95 - 28.96 [396]
Propylene Glycol 332.15 - 44.86 [396]
Propylene Glycol 337.25 - 68.83 [396]
Propylene Glycol 342.35 - 101.9 [396]
Propylene Glycol 347.15 - 149.0 [396]
Water 300.55 - 0.7392 [396]
Water 302.6 - 0.9258 [396]
Water 309.85 - 1.877 [396]
Water 315.45 - 2.895 [396]
Water 322.4 - 4.535 [396]
Water 328.05 - 6.162 [396]
Water 333.25 - 7.785 [396]
Water 337.05 - 8.887 [396]
Water 340.65 - 10.34 [396]
Water 344.45 - 11.57 [396]

Molecule 3D descriptors

Descriptor Value
PMI1 101.5033
PMI2 1024.2662
PMI3 1119.2263
NPR1 0.0907
NPR2 0.9152
RadiusOfGyration 2.7908
InertialShapeFactor 0.0090
Eccentricity 0.9959
Asphericity 0.7525
SpherocityIndex 0.0474
PBF 0.2002