Chemical Properties of 3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl- (CAS 40702-26-9)

InChI

InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3

InChI Key

HPPUQZZCHCEJEW-UHFFFAOYSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

CAS

40702-26-9

Other Names

• 1,3,4-Trimethyl-3-cyclohexenyl-1-carboxaldehyde
• 1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde
• 1,3,4-Trimethyl-3-cyclohexene-1-carboxaldehyde

• 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°	-36.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-230.91	kJ/mol	Joback Calculated Property
ΔfusH°	9.93	kJ/mol	Joback Calculated Property
ΔvapH°	45.47	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
Inp	[1136.00; 1171.00]
Inp	1171.00		NIST
Inp	1136.00		NIST
Inp	1171.00		NIST
I	[1525.00; 1525.00]
I	1525.00		NIST
I	1525.00		NIST
Tboil	505.77	K	Joback Calculated Property
Tc	720.94	K	Joback Calculated Property
Tfus	301.54	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.28; 396.00]	J/mol×K	[505.77; 720.94]
Cp,gas	313.28	J/mol×K	505.77	Joback Calculated Property
Cp,gas	329.19	J/mol×K	541.63	Joback Calculated Property
Cp,gas	344.11	J/mol×K	577.49	Joback Calculated Property
Cp,gas	358.15	J/mol×K	613.35	Joback Calculated Property
Cp,gas	371.41	J/mol×K	649.21	Joback Calculated Property
Cp,gas	383.99	J/mol×K	685.08	Joback Calculated Property
Cp,gas	396.00	J/mol×K	720.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-.

Sources

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

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