Chemical Properties of 4A-Methyl-8(14)-stigmastenol acetate

InChI

InChI=1S/C32H54O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-22,24,26-27,29-30H,9-19H2,1-8H3/t21-,22-,24?,26?,27?,29?,30-,31+,32-/m0/s1

InChI Key

XVXYPWSUIYJWOZ-QMTMGZMRSA-N

Formula

C32H54O2

SMILES

CCC(CC[C@H](C)C1CCC2=C3CCC4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)C3CC[C@@]21C)C(C)C

Molecular Weight¹

470.78

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[579.05; 1605.06]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.78197e+02
Coefficient B			3.89176e+00
Coefficient C			-3.03300e-03
Coefficient D			1.02450e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	579.05	J/mol×K	273.00	Calculated Property
Cp,gas	764.38	J/mol×K	353.78	Calculated Property
Cp,gas	924.31	J/mol×K	434.56	Calculated Property
Cp,gas	1062.10	J/mol×K	515.33	Calculated Property
Cp,gas	1180.97	J/mol×K	596.11	Calculated Property
Cp,gas	1284.17	J/mol×K	676.89	Calculated Property
Cp,gas	1374.94	J/mol×K	757.67	Calculated Property
Cp,gas	1456.52	J/mol×K	838.44	Calculated Property
Cp,gas	1532.15	J/mol×K	919.22	Calculated Property
Cp,gas	1605.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4A-Methyl-8(14)-stigmastenol acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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