Chemical Properties of Stigmasta-7,16-dien-3-ol, (3«beta»,5«alpha»)- (CAS 17851-90-0)

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/h11-12,19-23,26-27,30H,7-10,13-18H2,1-6H3/t20-,21-,22+,23+,26+,27+,28+,29-/m0/s1

InChI Key

YZASEYYDJZZZHQ-NCDNEOMHSA-N

Formula

C29H48O

SMILES

CCC(CCC(C)C1=CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

412.69

CAS

17851-90-0

Other Names

• 5«alpha»-Stigmasta-7,16-dien-3«beta»-ol
• Elasterol, 25,26-dihydro-
• 25,26-Dihydroelasterol

• 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_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°	245.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.14	kJ/mol	Joback Calculated Property
ΔfusH°	37.64	kJ/mol	Joback Calculated Property
ΔvapH°	95.16	kJ/mol	Joback Calculated Property
log10WS	-8.69		Crippen Calculated Property
logPoct/wat	7.945		Crippen Calculated Property
McVol	373.300	ml/mol	McGowan Calculated Property
Pc	992.00	kPa	Joback Calculated Property
Inp	[3401.00; 3401.00]
Inp	3401.00		NIST
Inp	3401.00		NIST
Tboil	1001.51	K	Joback Calculated Property
Tc	1229.27	K	Joback Calculated Property
Tfus	552.45	K	Joback Calculated Property
Vc	1.415	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1424.19; 1644.04]	J/mol×K	[1001.51; 1229.27]
Cp,gas	1424.19	J/mol×K	1001.51	Joback Calculated Property
Cp,gas	1457.07	J/mol×K	1039.47	Joback Calculated Property
Cp,gas	1490.99	J/mol×K	1077.43	Joback Calculated Property
Cp,gas	1526.29	J/mol×K	1115.39	Joback Calculated Property
Cp,gas	1563.32	J/mol×K	1153.35	Joback Calculated Property
Cp,gas	1602.45	J/mol×K	1191.31	Joback Calculated Property
Cp,gas	1644.04	J/mol×K	1229.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Stigmasta-7,16-dien-3-ol, (3«beta»,5«alpha»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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