Chemical Properties of 1-Cyclohexene-1-ethanol, 2,6,6-trimethyl- (CAS 472-65-1)

InChI

InChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3

InChI Key

JGJFZOVBBGQGOM-UHFFFAOYSA-N

Formula

C11H20O

SMILES

CC1=C(CCO)C(C)(C)CCC1

Molecular Weight¹

168.28

CAS

472-65-1

Other Names

• «beta»-Cyclohomogeraniol

• 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.
• 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°	-65.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-318.20	kJ/mol	Joback Calculated Property
ΔfusH°	14.31	kJ/mol	Joback Calculated Property
ΔvapH°	57.65	kJ/mol	Joback Calculated Property
log10WS	-3.20		Crippen Calculated Property
logPoct/wat	2.895		Crippen Calculated Property
McVol	156.560	ml/mol	McGowan Calculated Property
Pc	2695.80	kPa	Joback Calculated Property
Inp	[1336.60; 1336.60]
Inp	1336.60		NIST
Inp	1336.60		NIST
Tboil	572.17	K	Joback Calculated Property
Tc	766.66	K	Joback Calculated Property
Tfus	331.63	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.74; 478.83]	J/mol×K	[572.17; 766.66]
Cp,gas	397.74	J/mol×K	572.17	Joback Calculated Property
Cp,gas	412.89	J/mol×K	604.58	Joback Calculated Property
Cp,gas	427.28	J/mol×K	637.00	Joback Calculated Property
Cp,gas	440.98	J/mol×K	669.41	Joback Calculated Property
Cp,gas	454.09	J/mol×K	701.83	Joback Calculated Property
Cp,gas	466.68	J/mol×K	734.24	Joback Calculated Property
Cp,gas	478.83	J/mol×K	766.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-ethanol, 2,6,6-trimethyl-.

Sources

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

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