Chemical Properties of «gamma»-Sitosterol (CAS 83-47-6)

«gamma»-Sitosterol

InChI
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21?,23+,24+,25-,26+,27+,28+,29-/m0/s1
InChI Key
KZJWDPNRJALLNS-SEIBWPITSA-N
Formula
C29H50O
SMILES
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
414.71
CAS
83-47-6
Other Names
  • (3«beta»,24S)-stigmast-5-en-3-ol
  • 22,23-Dihydroporiferasterol
  • 24S-Ethylcholest-5-en-3«beta»-ol
  • 24«beta»-Ethyl-5-cholesten-3«beta»-ol
  • 24«beta»-Ethylcholesterol
  • Clionasterol
  • Fucosterol, «beta»-dihydro-
  • Stigmast-5-en-3-ol, (3«beta»,24S)-
  • Stigmast-5-en-3«beta»-ol, (24S)-
  • «beta»-Dihydrofucosterol
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Physical Properties

Property Value Unit Source
ΔfusH° 37.88 kJ/mol Joback Calculated Property
ΔvapH° 154.18 kJ/mol Relay (1.0) Calculated Property
log10WS -7.57 Relay (1.0) Calculated Property
logPoct/wat 8.025 Crippen Calculated Property
McVol 377.600 ml/mol McGowan Calculated Property
Inp [3290.00; 3351.30]   Show Hide
Inp 3351.30 NIST
Inp 3290.00 NIST
Inp 3351.30 NIST
Tboil 698.03 K Relay (1.0) Calculated Property
Tfus 420.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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 [509.02; 1463.89] 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-3.09887e+02
Coefficient B3.75502e+00
Coefficient C-3.06184e-03
Coefficient D1.08060e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 509.02 J/mol×K 273.00 Calculated Property
Cp,gas 683.19 J/mol×K 353.78 Calculated Property
Cp,gas 832.36 J/mol×K 434.56 Calculated Property
Cp,gas 959.96 J/mol×K 515.33 Calculated Property
Cp,gas 1069.40 J/mol×K 596.11 Calculated Property
Cp,gas 1164.11 J/mol×K 676.89 Calculated Property
Cp,gas 1247.49 J/mol×K 757.67 Calculated Property
Cp,gas 1322.97 J/mol×K 838.44 Calculated Property
Cp,gas 1393.97 J/mol×K 919.22 Calculated Property
Cp,gas 1463.89 J/mol×K 1000.00 Calculated Property

Similar Compounds

sitosterol. (23S)-Ethylcholest-5-en-3-.beta.-ol. Cholesterol. Campesterol. (22R,24S)-22,24-Dimethylcholesterol. Cholest-5-en-3-ol, (3«alpha»)-. Fucosterol. Stigmasta-5,24(28)-dien-3-ol, (3«beta»,24Z)-. Stigmasta-5,23-dien-3.beta.-ol. Desmosterol. 24-Methylcholesta-5,24-dien-3-«beta»-ol. Ergosta-5,24(28)-dien-3-ol, (3«beta»)-. Cholesta-5,25-dien-3-«beta»-ol. (24S )-24-Methyl-26,26-dimethyl-27-norcholesta-5,22-dien-3«beta»-ol. Stigmasterol.

Find more compounds similar to «gamma»-Sitosterol.

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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