Chemical Properties of Cholest-5-en-3-ol (3«beta»)-, acetate (CAS 604-35-3)

Cholest-5-en-3-ol (3«beta»)-, acetate

InChI
InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20?,23-,24?,25?,26?,27?,28?,29?/m1/s1
InChI Key
XUGISPSHIFXEHZ-WOOIZHOCSA-N
Formula
C29H48O2
SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
Molecular Weight1
428.69
CAS
604-35-3
Other Names
  • (-)-Cholesteryl acetate
  • 3-Cholesteryl acetate
  • 3«beta»-Acetoxycholest-5-ene
  • 5-Cholesten-3-beta-ol, acetate
  • 5-Cholesten-3B-ol, acetate
  • 5-Cholesten-3«beta»-ol acetate
  • Cholest-5-en-3-yl acetate, (3«beta»)-
  • Cholest-5-en-3«beta»-ol acetate
  • Cholest-5-en-3«beta»-yl acetate
  • Cholesterin acetate
  • Cholesterol, acetate
  • Cholesteryl acetate
  • NSC 8799
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Physical Properties

Property Value Unit Source
ΔfusH° 41.68 kJ/mol Joback Calculated Property
ΔvapH° 137.42 kJ/mol Relay (1.0) Calculated Property
log10WS -7.49 Relay (1.0) Calculated Property
logPoct/wat 7.960 Crippen Calculated Property
McVol 379.170 ml/mol McGowan Calculated Property
Inp [3135.00; 3182.00]   Show Hide
Inp 3182.00 NIST
Inp 3135.00 NIST
Inp 3182.00 NIST
Tboil 680.96 K Relay (1.0) Calculated Property
Tfus [386.15; 387.80] K Show Hide
Tfus 386.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 387.80 ± 0.50 K NIST

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 [513.17; 1452.79] 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-2.88087e+02
Coefficient B3.66032e+00
Coefficient C-2.93364e-03
Coefficient D1.01420e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 513.17 J/mol×K 273.00 Calculated Property
Cp,gas 684.59 J/mol×K 353.78 Calculated Property
Cp,gas 831.77 J/mol×K 434.56 Calculated Property
Cp,gas 957.92 J/mol×K 515.33 Calculated Property
Cp,gas 1066.24 J/mol×K 596.11 Calculated Property
Cp,gas 1159.95 J/mol×K 676.89 Calculated Property
Cp,gas 1242.26 J/mol×K 757.67 Calculated Property
Cp,gas 1316.36 J/mol×K 838.44 Calculated Property
Cp,gas 1385.47 J/mol×K 919.22 Calculated Property
Cp,gas 1452.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

22-Dihydrobrassicasterol acetate. 5A-Cholesten-3B-ol, acetate. Ergost-5-en-3-ol, acetate, (3«beta»,24R)-. 20-Isocholesterol acetate. Poriferasterol acetate. Clionasterol acetate. «beta»-Sitosterol acetate. 5,23-Stigmastadienol acetate. 28-Isofucosterol acetate. Fucosterol acetate. Cholest-5-en-3-ol (3«beta»)-, propanoate. Ergosta-5,24-dien-3-ol, acetate, (3«beta»)-. 5,24-Stigmastadienol acetate. Cholesta-5,24-dien-3-ol, acetate, (3«beta»)-. 5,23-Ergostadienol acetate.

Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, acetate.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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