Chemical Properties of Ergost-8(14)-en-3-ol, (3«beta»)- (CAS 30365-65-2)

InChI

InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20-,21?,22+,24-,26+,27+,28-/m0/s1

InChI Key

AWYDNKRGSOPYQB-AVPUWTLXSA-N

Formula

C28H48O

SMILES

CC(C)C(C)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CCC21C

Molecular Weight¹

400.68

CAS

30365-65-2

Other Names

• Ergost-8(14)-en-3«beta»-ol
• 8(14)-Dehydro-hexahydroergosterol
• 3«beta»-Ergost-8(14)-en-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_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°	207.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.28	kJ/mol	Joback Calculated Property
ΔfusH°	33.82	kJ/mol	Joback Calculated Property
ΔvapH°	92.64	kJ/mol	Joback Calculated Property
log10WS	-8.42		Crippen Calculated Property
logPoct/wat	7.779		Crippen Calculated Property
McVol	363.510	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[3215.00; 3215.00]
Inp	3215.00		NIST
Inp	3215.00		NIST
Tboil	979.47	K	Joback Calculated Property
Tc	1204.63	K	Joback Calculated Property
Tfus	540.42	K	Joback Calculated Property
Vc	1.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1385.21; 1595.24]	J/mol×K	[979.47; 1204.63]
Cp,gas	1385.21	J/mol×K	979.47	Joback Calculated Property
Cp,gas	1417.14	J/mol×K	1017.00	Joback Calculated Property
Cp,gas	1449.85	J/mol×K	1054.52	Joback Calculated Property
Cp,gas	1483.68	J/mol×K	1092.05	Joback Calculated Property
Cp,gas	1518.96	J/mol×K	1129.58	Joback Calculated Property
Cp,gas	1556.03	J/mol×K	1167.11	Joback Calculated Property
Cp,gas	1595.24	J/mol×K	1204.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ergost-8(14)-en-3-ol, (3«beta»)-.

Sources

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

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