Menadiol diacetate

Compound Structure

CAS Number: 573-20-6

Molecular Mass: 258.27 g/mol

Formula: C15H14O4

Smiles: CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 283.1 - 7.323 [344]
1-Butanol 288.1 - 10.0 [344]
1-Butanol 293.1 - 13.02 [344]
1-Butanol 298.1 - 16.8 [344]
1-Butanol 303.1 - 22.38 [344]
1-Butanol 308.1 - 29.11 [344]
1-Butanol 313.1 - 39.08 [344]
1-Butanol 318.1 - 52.05 [344]
1-Butanol 323.1 - 71.21 [344]
1-Pentanol 283.1 - 6.431 [344]
1-Pentanol 288.1 - 8.996 [344]
1-Pentanol 293.1 - 11.95 [344]
1-Pentanol 298.1 - 15.96 [344]
1-Pentanol 303.1 - 21.97 [344]
1-Pentanol 308.1 - 29.03 [344]
1-Pentanol 313.1 - 39.17 [344]
1-Pentanol 318.1 - 52.26 [344]
1-Pentanol 323.1 - 68.76 [344]
1-Propanol 283.1 - 9.254 [344]
1-Propanol 288.1 - 12.01 [344]
1-Propanol 293.1 - 16.42 [344]
1-Propanol 298.1 - 21.76 [344]
1-Propanol 303.1 - 27.55 [344]
1-Propanol 308.1 - 36.53 [344]
1-Propanol 313.1 - 48.09 [344]
1-Propanol 318.1 - 63.91 [344]
1-Propanol 323.1 - 86.74 [344]
Amyl Acetate 283.1 - 79.05 [344]
Amyl Acetate 288.1 - 92.36 [344]
Amyl Acetate 293.1 - 109.4 [344]
Amyl Acetate 298.1 - 126.4 [344]
Amyl Acetate 303.1 - 147.6 [344]
Amyl Acetate 308.1 - 175.1 [344]
Amyl Acetate 313.1 - 206.4 [344]
Amyl Acetate 318.1 - 246.6 [344]
Amyl Acetate 323.1 - 295.2 [344]
Butyl acetate 283.1 - 103.6 [344]
Butyl acetate 288.1 - 119.7 [344]
Butyl acetate 293.1 - 139.4 [344]
Butyl acetate 298.1 - 162.4 [344]
Butyl acetate 303.1 - 190.9 [344]
Butyl acetate 308.1 - 225.2 [344]
Butyl acetate 313.1 - 265.4 [344]
Butyl acetate 318.1 - 314.1 [344]
Butyl acetate 323.1 - 374.4 [344]
Ethanol 283.1 - 14.49 [344]
Ethanol 288.1 - 18.66 [344]
Ethanol 293.1 - 23.67 [344]
Ethanol 298.1 - 29.06 [344]
Ethanol 303.1 - 37.02 [344]
Ethanol 308.1 - 47.49 [344]
Ethanol 313.1 - 61.26 [344]
Ethanol 318.1 - 80.51 [344]
Ethanol 323.1 - 106.1 [344]
Ethyl acetate 283.1 - 198.5 [344]
Ethyl acetate 288.1 - 229.5 [344]
Ethyl acetate 293.1 - 263.2 [344]
Ethyl acetate 298.1 - 302.5 [344]
Ethyl acetate 303.1 - 349.3 [344]
Ethyl acetate 308.1 - 403.3 [344]
Ethyl acetate 313.1 - 474.4 [344]
Ethyl acetate 318.1 - 557.5 [344]
Ethyl acetate 323.1 - 649.4 [344]
Isoamyl Alcohol 283.1 - 5.787 [344]
Isoamyl Alcohol 288.1 - 7.854 [344]
Isoamyl Alcohol 293.1 - 10.03 [344]
Isoamyl Alcohol 298.1 - 13.28 [344]
Isoamyl Alcohol 303.1 - 18.11 [344]
Isoamyl Alcohol 308.1 - 24.1 [344]
Isoamyl Alcohol 313.1 - 32.3 [344]
Isoamyl Alcohol 318.1 - 43.21 [344]
Isoamyl Alcohol 323.1 - 58.95 [344]
Isobutanol 283.1 - 5.983 [344]
Isobutanol 288.1 - 8.156 [344]
Isobutanol 293.1 - 10.78 [344]
Isobutanol 298.1 - 14.7 [344]
Isobutanol 303.1 - 19.73 [344]
Isobutanol 308.1 - 26.63 [344]
Isobutanol 313.1 - 36.46 [344]
Isobutanol 318.1 - 50.04 [344]
Isobutanol 323.1 - 69.21 [344]
Isopropanol 283.1 - 6.341 [344]
Isopropanol 288.1 - 8.502 [344]
Isopropanol 293.1 - 11.32 [344]
Isopropanol 298.1 - 14.99 [344]
Isopropanol 303.1 - 20.34 [344]
Isopropanol 308.1 - 27.1 [344]
Isopropanol 313.1 - 36.6 [344]
Isopropanol 318.1 - 50.63 [344]
Isopropanol 323.1 - 69.59 [344]
Methanol 283.1 - 29.89 [344]
Methanol 288.1 - 36.75 [344]
Methanol 293.1 - 45.6 [344]
Methanol 298.1 - 56.11 [344]
Methanol 303.1 - 71.04 [344]
Methanol 308.1 - 88.45 [344]
Methanol 313.1 - 109.8 [344]
Methanol 318.1 - 139.5 [344]
Methanol 323.1 - 203.4 [344]
Methyl acetate 283.1 - 302.5 [344]
Methyl acetate 288.1 - 348.2 [344]
Methyl acetate 293.1 - 398.2 [344]
Methyl acetate 298.1 - 455.1 [344]
Methyl acetate 303.1 - 524.3 [344]
Methyl acetate 308.1 - 602.8 [344]
Methyl acetate 313.1 - 686.7 [344]
Methyl acetate 318.1 - 777.9 [344]
Methyl acetate 323.1 - 881.1 [344]
Propyl acetate 283.1 - 143.1 [344]
Propyl acetate 288.1 - 163.1 [344]
Propyl acetate 293.1 - 187.8 [344]
Propyl acetate 298.1 - 219.4 [344]
Propyl acetate 303.1 - 257.8 [344]
Propyl acetate 308.1 - 299.8 [344]
Propyl acetate 313.1 - 349.9 [344]
Propyl acetate 318.1 - 411.6 [344]
Propyl acetate 323.1 - 485.4 [344]

Molecule 3D descriptors

Descriptor Value
PMI1 795.9583
PMI2 1916.0024
PMI3 2496.6029
NPR1 0.3188
NPR2 0.7674
RadiusOfGyration 3.1754
InertialShapeFactor 0.0010
Eccentricity 0.9478
Asphericity 0.3306
SpherocityIndex 0.0820
PBF 0.4890