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

• 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.
• 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
ω	0.3279		Relay (... Calculated Property
ΔfG°	-36.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.08	kJ/mol	Relay (... Calculated Property
ΔfusH°	9.93	kJ/mol	Joback Calculated Property
ΔvapH°	52.56	kJ/mol	Relay (... Calculated Property
IE	8.45	eV	Relay (... Calculated Property
log10WS	-2.16		Relay (... 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	475.67	K	Relay (... Calculated Property
Tc	684.97	K	Relay (... Calculated Property
Tfus	245.54	K	Relay (... Calculated Property
Vc	0.476	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.