Chemical Properties of 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, acetate, (3«beta»,4«alpha»,5«alpha»)- (CAS 10376-42-8)

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)9-10-22(4)25-13-15-30(8)28-12-11-26-23(5)27(34-24(6)33)14-16-31(26)19-32(28,31)18-17-29(25,30)7/h20,22-23,25-28H,3,9-19H2,1-2,4-8H3

InChI Key

QEBAXZCXAFWBDK-UHFFFAOYSA-N

Formula

C32H52O2

SMILES

C=C(CCC(C)C1CCC2(C)C3CCC4C(C)C(OC(C)=O)CCC45CC35CCC12C)C(C)C

Molecular Weight¹

468.75

CAS

10376-42-8

Other Names

• Cycloeucalenyl acetate
• Cycloeucalenol acetate
• 9,19-Cyclo-5«alpha»,9«beta»-ergost-24(28)-en-3«beta»-ol, 4«alpha»,14-dimethyl-, acetate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6605		Relay (... Calculated Property
ΔfG°	273.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-582.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	136.88	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-7.37		Relay (... Calculated Property
logPoct/wat	8.596		Crippen Calculated Property
McVol	410.580	ml/mol	McGowan Calculated Property
Pc	861.00	kPa	Joback Calculated Property
Inp	[3378.00; 3378.00]
Inp	3378.00		NIST
Inp	3378.00		NIST
Tboil	706.92	K	Relay (... Calculated Property
Tc	1003.50	K	Relay (... Calculated Property
Tfus	420.19	K	Relay (... Calculated Property
Vc	1.480	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1649.30; 2035.52]	J/mol×K	[1032.32; 1270.96]
Cp,gas	1649.30	J/mol×K	1032.32	Joback Calculated Property
Cp,gas	1700.86	J/mol×K	1072.09	Joback Calculated Property
Cp,gas	1756.63	J/mol×K	1111.87	Joback Calculated Property
Cp,gas	1817.30	J/mol×K	1151.64	Joback Calculated Property
Cp,gas	1883.55	J/mol×K	1191.41	Joback Calculated Property
Cp,gas	1956.06	J/mol×K	1231.19	Joback Calculated Property
Cp,gas	2035.52	J/mol×K	1270.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, acetate, (3«beta»,4«alpha»,5«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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