Chemical Properties of 3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate

3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate

InChI
InChI=1S/C35H52O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-11,17,23-25,27-30,32H,12-16,18-22H2,1-6H3
InChI Key
PXRZGKIPOGDNPV-UHFFFAOYSA-N
Formula
C35H52O2
SMILES
CC(C)C(C)CCC(C)C1CC=C2C3CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC21C
Molecular Weight1
504.80
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Physical Properties

Property Value Unit Source
ΔfusH° 47.74 kJ/mol Joback Calculated Property
logPoct/wat 9.499 Crippen Calculated Property
McVol 439.950 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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 [582.89; 1644.35] 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-3.29128e+02
Coefficient B4.15732e+00
Coefficient C-3.29444e-03
Coefficient D1.11060e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 582.89 J/mol×K 273.00 Calculated Property
Cp,gas 778.49 J/mol×K 353.78 Calculated Property
Cp,gas 946.48 J/mol×K 434.56 Calculated Property
Cp,gas 1090.37 J/mol×K 515.33 Calculated Property
Cp,gas 1213.68 J/mol×K 596.11 Calculated Property
Cp,gas 1319.91 J/mol×K 676.89 Calculated Property
Cp,gas 1412.58 J/mol×K 757.67 Calculated Property
Cp,gas 1495.21 J/mol×K 838.44 Calculated Property
Cp,gas 1571.29 J/mol×K 919.22 Calculated Property
Cp,gas 1644.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cholesteryl benzoate. Teferidine. Ferutinin. Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Teferin. (22E)-3«alpha»-Ergosta-14,22-dien-5«beta»-ol, acetate. (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate. ETHYLBENZOYLECGONINE. 3,18-Dioxo-11«beta»,17«alpha»-dihydroxy-4-etienic acid, 20,18-lactone, 18,11-hemiacetal, MO-TMS. 14-Stigmastenol acetate. Triamcinolone Acetonide. Senkyunolide P. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. ETHYL 2-(METHYLAMINO)-1-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE. Nandrolone phenpropionate.

Find more compounds similar to 3Beta-hydroxy-24beta-methyl-5alpha-cholest-14-ene, benzoate.

Sources

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