Chemical Properties of 10-epi-Cubebol (CAS 176589-53-0)

InChI

InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11-,12+,13?,14-,15+/m0/s1

InChI Key

LMCRYOCEDDKMQA-ZRGDOOIKSA-N

Formula

C15H24O

SMILES

CC(C)C1C=CC(C)C23CCC(C)(O)C2C13

Molecular Weight¹

220.35

CAS

176589-53-0

• 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.
• I : 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	0.4942		Relay (1.0) Calculated Property
ΔfG°	102.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.32	kJ/mol	Joback Calculated Property
ΔvapH°	83.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.242		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[1534.00; 1545.00]
Inp	1534.00		NIST
Inp	1534.00		NIST
Inp	1545.00		NIST
Inp	1534.00		NIST
I	[1899.00; 1899.00]
I	1899.00		NIST
I	1899.00		NIST
Tboil	529.91	K	Relay (1.0) Calculated Property
Tc	777.18	K	Relay (1.0) Calculated Property
Tfus	323.04	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.51; 677.70]	J/mol×K	[644.46; 849.94]
Cp,gas	574.51	J/mol×K	644.46	Joback Calculated Property
Cp,gas	593.11	J/mol×K	678.71	Joback Calculated Property
Cp,gas	610.85	J/mol×K	712.95	Joback Calculated Property
Cp,gas	627.94	J/mol×K	747.20	Joback Calculated Property
Cp,gas	644.63	J/mol×K	781.45	Joback Calculated Property
Cp,gas	661.14	J/mol×K	815.69	Joback Calculated Property
Cp,gas	677.70	J/mol×K	849.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 10-epi-Cubebol.

Sources

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

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