Chemical Properties of Stigmasterol (CAS 83-48-7)

InChI

InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m1/s1

InChI Key

HCXVJBMSMIARIN-BASBAMEESA-N

Formula

C29H48O

SMILES

CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

412.69

CAS

83-48-7

Other Names

• Stigmasta-5,22-dien-3-ol, (3«beta»,22E)-
• Stigmasta-5,22-dien-3«beta»-ol
• «beta»-Stigmasterol
• (24S)-5,22-Stigmastadien-3«beta»-ol
• Stigmasta-5,22-dien-3-ol, (3«beta»)-
• Stigmasterin
• 5,22-Cholestadien-24-ethyl-3«beta»-ol
• «DELTA»5,22-Stigmastadien-3«beta»-ol
• Stigmasta-5,22-dien-3-ol
• NSC 8095
• Phytosterol
• I-Stigmasterol
• (22E)-Stigmasta-5,22-dien-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.08	kJ/mol	Joback Calculated Property
ΔvapH°	150.48	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.28		Relay (1.0) Calculated Property
logPoct/wat	7.801		Crippen Calculated Property
McVol	373.300	ml/mol	McGowan Calculated Property
Inp	[3138.00; 3248.60]
Inp	3148.00		NIST
Inp	3166.00		NIST
Inp	3148.00		NIST
Inp	3145.00		NIST
Inp	3148.00		NIST
Inp	3170.00		NIST
Inp	3172.00		NIST
Inp	3143.00		NIST
Inp	3138.00		NIST
Inp	3166.00		NIST
Inp	3142.00		NIST
Inp	3191.00		NIST
Inp	3164.00		NIST
Inp	3213.00		NIST
Inp	3148.00		NIST
Inp	3170.00		NIST
Inp	3172.00		NIST
Inp	3140.00		NIST
Inp	3142.00		NIST
Inp	3145.00		NIST
Inp	Outlier 3248.60		NIST
Inp	3170.00		NIST
Inp	3170.00		NIST
Inp	3170.00		NIST
Inp	3170.00		NIST
Tboil	693.21	K	Relay (1.0) Calculated Property
Tfus	433.87	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1430.76; 1654.30]	J/mol×K	[997.06; 1225.73]
Cp,gas	1430.76	J/mol×K	997.06	Joback Calculated Property
Cp,gas	1464.17	J/mol×K	1035.17	Joback Calculated Property
Cp,gas	1498.63	J/mol×K	1073.28	Joback Calculated Property
Cp,gas	1534.49	J/mol×K	1111.39	Joback Calculated Property
Cp,gas	1572.14	J/mol×K	1149.51	Joback Calculated Property
Cp,gas	1611.95	J/mol×K	1187.62	Joback Calculated Property
Cp,gas	1654.30	J/mol×K	1225.73	Joback Calculated Property
ΔsubH	168.40 ± 1.40	kJ/mol	403.50	NIST

Similar Compounds

Find more compounds similar to Stigmasterol.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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