Chemical Properties of 6-Acetoxyeudesm-4(15)-en-7«beta»-ol

InChI

InChI=1S/C17H28O3/c1-11(2)17(19)10-9-16(5)8-6-7-12(3)14(16)15(17)20-13(4)18/h11,14-15,19H,3,6-10H2,1-2,4-5H3/t14?,15?,16-,17-/m0/s1

InChI Key

UKFCOAIBDHEBAF-GQGLESIBSA-N

Formula

C17H28O3

SMILES

C=C1CCCC2(C)CCC(O)(C(C)C)C(OC(C)=O)C12

Molecular Weight¹

280.40

• 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	0.6081		Relay (1.0) Calculated Property
ΔfG°	-181.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.39	kJ/mol	Joback Calculated Property
ΔvapH°	95.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.462		Crippen Calculated Property
McVol	237.680	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[1879.00; 1879.00]
Inp	1879.00		NIST
Inp	1879.00		NIST
Tboil	584.89	K	Relay (1.0) Calculated Property
Tc	819.00	K	Relay (1.0) Calculated Property
Tfus	350.17	K	Relay (1.0) Calculated Property
Vc	0.815	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.48; 878.56]	J/mol×K	[777.25; 987.51]
Cp,gas	761.48	J/mol×K	777.25	Joback Calculated Property
Cp,gas	781.30	J/mol×K	812.29	Joback Calculated Property
Cp,gas	800.75	J/mol×K	847.34	Joback Calculated Property
Cp,gas	820.02	J/mol×K	882.38	Joback Calculated Property
Cp,gas	839.28	J/mol×K	917.42	Joback Calculated Property
Cp,gas	858.73	J/mol×K	952.46	Joback Calculated Property
Cp,gas	878.56	J/mol×K	987.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Acetoxyeudesm-4(15)-en-7«beta»-ol.

Sources

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

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