Chemical Properties of (-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one

(-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one

InChI
InChI=1S/C30H38O4/c1-18(2)22-8-5-19(3)15-27(22)33-17-29(32)34-21-7-10-23-20(16-21)6-9-25-24(23)13-14-30(4)26(25)11-12-28(30)31/h6-7,9-10,16,18-19,22,26-27H,5,8,11-15,17H2,1-4H3/t19?,22?,26-,27+,30?/m1/s1
InChI Key
JIPJTPKULQRHGR-QVKQSQIHSA-N
Formula
C30H38O4
SMILES
CC1CCC(C(C)C)[C@@H](OCC(=O)Oc2ccc3c4c(ccc3c2)[C@H]2CCC(=O)C2(C)CC4)C1
Molecular Weight1
462.63
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Physical Properties

Property Value Unit Source
ΔfusH° 46.74 kJ/mol Joback Calculated Property
IE 7.48 eV Relay (1.0) Calculated Property
log10WS -6.83 Relay (1.0) Calculated Property
logPoct/wat 6.622 Crippen Calculated Property
McVol 372.640 ml/mol McGowan Calculated Property
Tfus 423.23 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [499.80; 1341.88] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.70499e+02
Coefficient B2.96558e+00
Coefficient C-2.02540e-03
Coefficient D5.72200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 499.80 J/mol×K 273.00 Calculated Property
Cp,gas 650.50 J/mol×K 353.78 Calculated Property
Cp,gas 782.69 J/mol×K 434.56 Calculated Property
Cp,gas 898.19 J/mol×K 515.33 Calculated Property
Cp,gas 998.80 J/mol×K 596.11 Calculated Property
Cp,gas 1086.33 J/mol×K 676.89 Calculated Property
Cp,gas 1162.60 J/mol×K 757.67 Calculated Property
Cp,gas 1229.41 J/mol×K 838.44 Calculated Property
Cp,gas 1288.56 J/mol×K 919.22 Calculated Property
Cp,gas 1341.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

(-)-3-Menthoxyacetoxy-(+)-estra-1,3,5(10),6,8-pentaen-17-one. Retroisosensine. Retroisosenine. morphine. Nicocodine. ethylmorphine, propionic ester. DIHYDROERGOKRYPTINE. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). BUPRENORPHINE. 6-Monoacetylmorphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Diacetylmorphine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. TCN. Ajmaline.

Find more compounds similar to (-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one.

Sources

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