Chemical Properties of cis-«alpha»-Copaene-8-ol (CAS 58569-25-8)

InChI

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

InChI Key

BVCNHEVITXGCEP-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1=CCC2C3C(C(C)C)C(O)CC2(C)C13

Molecular Weight¹

220.35

CAS

58569-25-8

Other Names

• Tricyclo[4.4.0.0(2,7)]dec-8-en-4-ol, 2,8-dimethyl-5-(1-methylethyl)-, stereoisomer

• 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.
• 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
ΔfG°	98.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.67	kJ/mol	Joback Calculated Property
ΔfusH°	25.22	kJ/mol	Joback Calculated Property
ΔvapH°	64.06	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	3.242		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[1595.00; 1624.30]
Inp	1595.00		NIST
Inp	1624.30		NIST
Inp	1595.00		NIST
I	[2091.00; 2091.00]
I	2091.00		NIST
I	2091.00		NIST
Tboil	649.20	K	Joback Calculated Property
Tc	848.77	K	Joback Calculated Property
Tfus	379.39	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.68; 677.71]	J/mol×K	[649.20; 848.77]
Cp,gas	577.68	J/mol×K	649.20	Joback Calculated Property
Cp,gas	596.22	J/mol×K	682.46	Joback Calculated Property
Cp,gas	613.82	J/mol×K	715.72	Joback Calculated Property
Cp,gas	630.63	J/mol×K	748.99	Joback Calculated Property
Cp,gas	646.79	J/mol×K	782.25	Joback Calculated Property
Cp,gas	662.43	J/mol×K	815.51	Joback Calculated Property
Cp,gas	677.71	J/mol×K	848.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-«alpha»-Copaene-8-ol.

Sources

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

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