Chemical Properties of 3-Cyclohexene-1-carboxaldehyde, 4-methyl- (CAS 7560-64-7)

InChI

InChI=1S/C8H12O/c1-7-2-4-8(6-9)5-3-7/h2,6,8H,3-5H2,1H3

InChI Key

YPHGCKOZJCGDTF-UHFFFAOYSA-N

Formula

C8H12O

SMILES

CC1=CCC(C=O)CC1

Molecular Weight¹

124.18

CAS

7560-64-7

Other Names

• 1-Cyclohexene-4-carboxaldehyde, 1-methyl-
• 4-methylcyclohex-3-enecarbaldehyde
• 3-Cyclohexen-1-carbaldehyde, 4-methyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-128.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.43	kJ/mol	Joback Calculated Property
ΔvapH°	52.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Inp	[1024.00; 1024.00]
Inp	1024.00		NIST
Inp	1024.00		NIST
Tboil	454.59	K	Relay (1.0) Calculated Property
Tfus	231.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.12; 300.65]	J/mol×K	[454.99; 666.17]
Cp,gas	225.12	J/mol×K	454.99	Joback Calculated Property
Cp,gas	239.51	J/mol×K	490.19	Joback Calculated Property
Cp,gas	253.16	J/mol×K	525.38	Joback Calculated Property
Cp,gas	266.08	J/mol×K	560.58	Joback Calculated Property
Cp,gas	278.29	J/mol×K	595.77	Joback Calculated Property
Cp,gas	289.80	J/mol×K	630.97	Joback Calculated Property
Cp,gas	300.65	J/mol×K	666.17	Joback Calculated Property
η	[0.0003243; 0.0034828]	Pa×s	[242.58; 454.99]
η	0.0034828	Pa×s	242.58	Joback Calculated Property
η	0.0018225	Pa×s	277.98	Joback Calculated Property
η	0.0011040	Pa×s	313.38	Joback Calculated Property
η	0.0007403	Pa×s	348.78	Joback Calculated Property
η	0.0005344	Pa×s	384.19	Joback Calculated Property
η	0.0004076	Pa×s	419.59	Joback Calculated Property
η	0.0003243	Pa×s	454.99	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.