Chemical Properties of 2-Cyclohexen-1-ol, 2,6,6-trimethyl- (CAS 54345-59-4)

InChI

InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h5,8,10H,4,6H2,1-3H3

InChI Key

QOIDDSNHBKJZNV-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1=CCCC(C)(C)C1O

Molecular Weight¹

140.22

CAS

54345-59-4

Other Names

• 2,6,6-Trimethyl-2-cyclohexen-1-ol
• 2,6,6-Trimethylcyclohex-2-enol

• 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	0.4050		Relay (1.0) Calculated Property
ΔfG°	-80.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-233.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.59	kJ/mol	Joback Calculated Property
ΔvapH°	65.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.114		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[1205.00; 1205.00]
Inp	1205.00		NIST
Inp	1205.00		NIST
Tboil	463.81	K	Relay (1.0) Calculated Property
Tc	671.76	K	Relay (1.0) Calculated Property
Tfus	263.32	K	Relay (1.0) Calculated Property
Vc	0.442	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.39; 380.33]	J/mol×K	[516.76; 715.30]
Cp,gas	304.39	J/mol×K	516.76	Joback Calculated Property
Cp,gas	318.83	J/mol×K	549.85	Joback Calculated Property
Cp,gas	332.45	J/mol×K	582.94	Joback Calculated Property
Cp,gas	345.33	J/mol×K	616.03	Joback Calculated Property
Cp,gas	357.55	J/mol×K	649.12	Joback Calculated Property
Cp,gas	369.19	J/mol×K	682.21	Joback Calculated Property
Cp,gas	380.33	J/mol×K	715.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 2,6,6-trimethyl-.

Sources

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

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