Chemical Properties of Ergosta-5,8,22-trien-3-ol, (3«beta»,22E)- (CAS 50657-31-3)

InChI

InChI=1S/C28H44O/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/h7-9,18-20,22,24-25,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,24-,25+,27+,28-/m0/s1

InChI Key

VILFZDAFELACSG-XLQBSWHXSA-N

Formula

C28H44O

SMILES

CC(C)C(C)C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1=CC3

Molecular Weight¹

396.65

CAS

50657-31-3

Other Names

• «delta»5,8(9),22-Ergostatrien-3«beta»-ol
• Ergosta-5,8,22-trien-3«beta»-ol
• Lichesterol
• Ergostatrien-3«beta»-ol
• 5,8,22-Ergostatrienol
• Ergosta-5,8(9),22-trien-3«beta»-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°	315.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.41	kJ/mol	Joback Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	93.87	kJ/mol	Joback Calculated Property
log10WS	-8.37		Crippen Calculated Property
logPoct/wat	7.475		Crippen Calculated Property
McVol	354.910	ml/mol	McGowan Calculated Property
Pc	1104.47	kPa	Joback Calculated Property
Inp	[3113.00; 3158.00]
Inp	3158.00		NIST
Inp	3147.00		NIST
Inp	3113.00		NIST
Inp	3158.00		NIST
Inp	3113.00		NIST
Tboil	992.44	K	Joback Calculated Property
Tc	1222.94	K	Joback Calculated Property
Tfus	552.86	K	Joback Calculated Property
Vc	1.339	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1324.78; 1544.33]	J/mol×K	[992.44; 1222.94]
Cp,gas	1324.78	J/mol×K	992.44	Joback Calculated Property
Cp,gas	1356.92	J/mol×K	1030.86	Joback Calculated Property
Cp,gas	1390.33	J/mol×K	1069.27	Joback Calculated Property
Cp,gas	1425.39	J/mol×K	1107.69	Joback Calculated Property
Cp,gas	1462.49	J/mol×K	1146.11	Joback Calculated Property
Cp,gas	1502.01	J/mol×K	1184.52	Joback Calculated Property
Cp,gas	1544.33	J/mol×K	1222.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ergosta-5,8,22-trien-3-ol, (3«beta»,22E)-.

Sources

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

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