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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	298.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.57	kJ/mol	Joback Calculated Property
ΔfusH°	38.08	kJ/mol	Joback Calculated Property
ΔvapH°	93.86	kJ/mol	Joback Calculated Property
log10WS	-8.45		Crippen Calculated Property
logPoct/wat	7.801		Crippen Calculated Property
McVol	373.300	ml/mol	McGowan Calculated Property
Pc	990.75	kPa	Joback Calculated Property
Inp	[3138.00; 3248.60]
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
Inp	3148.00		NIST
Inp	3166.00		NIST
Inp	3145.00		NIST
Tboil	996.86	K	Joback Calculated Property
Tc	1225.48	K	Joback Calculated Property
Tfus	529.85	K	Joback Calculated Property
Vc	1.407	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1430.59; 1654.02]	J/mol×K	[996.86; 1225.48]
Cp,gas	1430.59	J/mol×K	996.86	Joback Calculated Property
Cp,gas	1463.99	J/mol×K	1034.96	Joback Calculated Property
Cp,gas	1498.43	J/mol×K	1073.07	Joback Calculated Property
Cp,gas	1534.27	J/mol×K	1111.17	Joback Calculated Property
Cp,gas	1571.91	J/mol×K	1149.28	Joback Calculated Property
Cp,gas	1611.70	J/mol×K	1187.38	Joback Calculated Property
Cp,gas	1654.02	J/mol×K	1225.48	Joback Calculated Property
ΔsubH	168.40 ± 1.40	kJ/mol	403.50	NIST

Similar Compounds

Find more compounds similar to Stigmasterol.

Sources

• 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.