Chemical Properties of Isopinocarveol (CAS 6712-79-4)

InChI

InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3

InChI Key

LCYXQUJDODZYIJ-UHFFFAOYSA-N

Formula

C10H16O

SMILES

C=C1C(O)CC2CC1C2(C)C

Molecular Weight¹

152.23

CAS

6712-79-4

Other Names

• cis-Pinocarveol
• Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, (1«alpha»,3«beta»,5«alpha»)-
• 2(10)-Pinen-3-ol, cis-
• (Z)-Pinocarveol

• 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°	38.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.72	kJ/mol	Joback Calculated Property
ΔfusH°	14.60	kJ/mol	Joback Calculated Property
ΔvapH°	52.92	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3076.16	kPa	Joback Calculated Property
Inp	[1134.00; 1198.00]
Inp	1139.00		NIST
Inp	1198.00		NIST
Inp	1182.00		NIST
Inp	1136.00		NIST
Inp	1183.00		NIST
Inp	1176.00		NIST
Inp	1160.00		NIST
Inp	1148.00		NIST
Inp	1180.00		NIST
Inp	1184.00		NIST
Inp	1183.00		NIST
Inp	1134.00		NIST
Inp	1183.00		NIST
Inp	1176.00		NIST
Inp	1176.00		NIST
Inp	1160.00		NIST
Inp	1183.00		NIST
Inp	1139.00		NIST
Inp	1182.00		NIST
Inp	1148.00		NIST
I	[1640.00; 1668.00]
I	1668.00		NIST
I	1646.00		NIST
I	1640.00		NIST
I	1668.00		NIST
I	1640.00		NIST
Tboil	528.19	K	Joback Calculated Property
Tc	723.06	K	Joback Calculated Property
Tfus	324.74	K	Joback Calculated Property
Vc	0.500	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.96; 413.48]	J/mol×K	[528.19; 723.06]
Cp,gas	335.96	J/mol×K	528.19	Joback Calculated Property
Cp,gas	350.83	J/mol×K	560.67	Joback Calculated Property
Cp,gas	364.79	J/mol×K	593.15	Joback Calculated Property
Cp,gas	377.93	J/mol×K	625.63	Joback Calculated Property
Cp,gas	390.35	J/mol×K	658.11	Joback Calculated Property
Cp,gas	402.17	J/mol×K	690.59	Joback Calculated Property
Cp,gas	413.48	J/mol×K	723.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopinocarveol.

Sources

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

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