Chemical Properties of 1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- (CAS 472-66-2)

InChI

InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3

InChI Key

VHTFHZGAMYUZEP-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC1=C(CC=O)C(C)(C)CCC1

Molecular Weight¹

166.26

CAS

472-66-2

Other Names

• 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
• «beta»-Cyclo-homocitral
• «beta»-Homocyclocitral

• 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_boilr : Boiling point at reduced pressure (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°	-28.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.55	kJ/mol	Joback Calculated Property
ΔfusH°	12.52	kJ/mol	Joback Calculated Property
ΔvapH°	47.69	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	3.102		Crippen Calculated Property
McVol	152.260	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1235.00; 1261.30]
Inp	1236.00		NIST
Inp	1237.30		NIST
Inp	1261.30		NIST
Inp	1254.00		NIST
Inp	1254.00		NIST
Inp	1251.00		NIST
Inp	1251.00		NIST
Inp	1235.00		NIST
Inp	1257.00		NIST
Inp	1253.00		NIST
Tboil	528.65	K	Joback Calculated Property
Tc	740.38	K	Joback Calculated Property
Tfus	312.81	K	Joback Calculated Property
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[359.42; 446.74]	J/mol×K	[528.65; 740.38]
Cp,gas	359.42	J/mol×K	528.65	Joback Calculated Property
Cp,gas	376.08	J/mol×K	563.94	Joback Calculated Property
Cp,gas	391.76	J/mol×K	599.23	Joback Calculated Property
Cp,gas	406.57	J/mol×K	634.52	Joback Calculated Property
Cp,gas	420.60	J/mol×K	669.81	Joback Calculated Property
Cp,gas	433.96	J/mol×K	705.09	Joback Calculated Property
Cp,gas	446.74	J/mol×K	740.38	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

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

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