Chemical Properties of Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)- (CAS 3903-57-9)

Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)-

InChI
InChI=1S/C28H50O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-26,29H,7-17H2,1-6H3
InChI Key
AMNBDMZNFAQUHN-UHFFFAOYSA-N
Formula
C28H50O
SMILES
CC(C)CCCC(C)C1CCC2C3CCC4C(C)C(O)CCC4(C)C3CCC12C
Molecular Weight1
402.70
CAS
3903-57-9
Other Names
  • 4-Methylcholestan-3-ol-, (3«beta»,4«alpha»,5«alpha»)-
  • 4-«alpha»-Methyl-5-«alpha»-cholestan-3-«beta»-ol
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Physical Properties

Property Value Unit Source
ΔfusH° 40.12 kJ/mol Joback Calculated Property
ΔvapH° 145.25 kJ/mol Relay (1.0) Calculated Property
log10WS -7.68 Relay (1.0) Calculated Property
logPoct/wat 7.715 Crippen Calculated Property
McVol 367.810 ml/mol McGowan Calculated Property
Inp 3195.00 NIST
Tboil 688.14 K Relay (1.0) Calculated Property
Tfus 416.17 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 [496.58; 1459.42] 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-3.17497e+02
Coefficient B3.71662e+00
Coefficient C-2.97320e-03
Coefficient D1.03350e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 496.58 J/mol×K 273.00 Calculated Property
Cp,gas 671.00 J/mol×K 353.78 Calculated Property
Cp,gas 820.94 J/mol×K 434.56 Calculated Property
Cp,gas 949.65 J/mol×K 515.33 Calculated Property
Cp,gas 1060.42 J/mol×K 596.11 Calculated Property
Cp,gas 1156.51 J/mol×K 676.89 Calculated Property
Cp,gas 1241.19 J/mol×K 757.67 Calculated Property
Cp,gas 1317.72 J/mol×K 838.44 Calculated Property
Cp,gas 1389.37 J/mol×K 919.22 Calculated Property
Cp,gas 1459.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cedranol. 5-Isocedranol. Neocedranol. [1,1'-Bicyclohexyl]-2-ol, 5-(1,1-dimethylethyl)-. Pregnane-3,20-diol, (3«alpha»,5«beta»)-. 5«beta»-Pregnan-3«beta»,20«alpha»-diol. Pregnane-3,20-diol, (3«alpha»,5«beta»,20S)-. Allopregnane-3«alpha»,20«alpha»-diol. 5«alpha»-Pregnan-3«beta»,20«beta»-diol. 5«beta»-Pregnan-3«beta»,20«beta»-diol. D:A-Friedooleanan-3-ol, (3«alpha»)-. Cholestan-3-ol, 4,4-dimethyl-, (3«beta»,5«alpha»)-. 4,4,14-.alpha.-Trimethyl-5-.alpha.-cholestan-3-.beta.-ol. 7,7-Dimethyl-bicyclo[2.2.1]heptan-2-ol. Bicyclo[2.2.1]heptan-2-ol, 7,7-dimethyl, endo.

Find more compounds similar to Cholestan-3-ol, 4-methyl-, (3«beta»,4«alpha»,5«alpha»)-.

Sources

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