Chemical Properties of Cholesteryl methyl carbonate (CAS 15507-52-5)

Cholesteryl methyl carbonate

InChI
InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-/m0/s1
InChI Key
WHMGDIMLSAAHJQ-FOBBRWMUSA-N
Formula
C29H48O3
SMILES
COC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
Molecular Weight1
444.69
CAS
15507-52-5
Other Names
  • Carbonic acid, cholesteryl methyl ester
  • Cholest-5-en-3-ol (3«beta»)-, methyl carbonate
  • Cholesterol, methyl carbonate
  • Cholest-5-en-3«beta»-yl-methyl carbonate
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Physical Properties

Property Value Unit Source
ΔfusH° 42.87 kJ/mol Joback Calculated Property
ΔvapH° 144.64 kJ/mol Relay (1.0) Calculated Property
log10WS -7.51 Relay (1.0) Calculated Property
logPoct/wat 8.179 Crippen Calculated Property
McVol 385.040 ml/mol McGowan Calculated Property
Tboil 686.24 K Relay (1.0) Calculated Property
Tfus 391.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [528.58; 1471.29] 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-2.62587e+02
Coefficient B3.59712e+00
Coefficient C-2.82264e-03
Coefficient D9.59400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 528.58 J/mol×K 273.00 Calculated Property
Cp,gas 699.20 J/mol×K 353.78 Calculated Property
Cp,gas 846.27 J/mol×K 434.56 Calculated Property
Cp,gas 972.82 J/mol×K 515.33 Calculated Property
Cp,gas 1081.90 J/mol×K 596.11 Calculated Property
Cp,gas 1176.53 J/mol×K 676.89 Calculated Property
Cp,gas 1259.76 J/mol×K 757.67 Calculated Property
Cp,gas 1334.60 J/mol×K 838.44 Calculated Property
Cp,gas 1404.10 J/mol×K 919.22 Calculated Property
Cp,gas 1471.29 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cholesterol, propyl carbonate. Cholesteryl formate. (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene. Cholest-5-ene, 3-methoxy-, (3«beta»)-. (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene. Ergosta-5,24-dien-3-ol, acetate, (3«beta»)-. 5A-Cholesten-3B-ol, acetate. Cholest-5-en-3-ol (3«beta»)-, acetate. 20-Isocholesterol acetate. Ergost-5-en-3-ol, acetate, (3«beta»,24R)-. 22-Dihydrobrassicasterol acetate. 5,23-Ergostadienol acetate. 5,23-Stigmastadienol acetate. 28-Isofucosterol acetate. Fucosterol acetate.

Find more compounds similar to Cholesteryl methyl carbonate.

Sources

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