Chemical Properties of Cyclohexanecarboxaldehyde

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

KVFDZFBHBWTVID-UHFFFAOYSA-N

Formula

C7H12O

SMILES

O=CC1CCCCC1

Molecular Weight¹

112.17

Other Names

• 1-Cyclohexanecarboxaldehyde
• 1-Formylcyclohexane
• Cyclohexanal
• Cyclohexanaldehyde
• Cyclohexane-1-carboxaldehyde
• Cyclohexanealdehyde
• Cyclohexanecarbaldehyde
• Cyclohexylcarboxaldehyde
• Cyclohexylformaldehyde
• Cyclohexylmethanal
• Formylcyclohexane
• Hexahydrobenzaldehyde
• NSC 68509

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	8.01	kJ/mol	Joback Calculated Property
ΔvapH°	46.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	NIST
logPoct/wat	1.766		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Inp	[958.00; 965.00]
Inp	958.00		NIST
Inp	963.00		NIST
Inp	965.00		NIST
Ip	1527.00		NIST
Tboil	[432.50; 435.20]	K
Tboil	435.20	K	NIST
Tboil	432.50	K	NIST
Tfus	307.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.77; 356.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.76800e+01
Coefficient B			7.65400e-01
Coefficient C			-4.31000e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.77	J/mol×K	273.00	Calculated Property
Cp,gas	162.68	J/mol×K	353.78	Calculated Property
Cp,gas	200.07	J/mol×K	434.56	Calculated Property
Cp,gas	233.19	J/mol×K	515.33	Calculated Property
Cp,gas	262.29	J/mol×K	596.11	Calculated Property
Cp,gas	287.62	J/mol×K	676.89	Calculated Property
Cp,gas	309.44	J/mol×K	757.67	Calculated Property
Cp,gas	327.99	J/mol×K	838.44	Calculated Property
Cp,gas	343.54	J/mol×K	919.22	Calculated Property
Cp,gas	356.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011641; 0.0003177]	Pa×s	[307.90; 446.75]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09340e+01
Coefficient B			1.28646e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			307.90
Temperature range, max.			446.75
η	0.0011641	Pa×s	307.90	Calculated Property
η	0.0009537	Pa×s	323.33	Calculated Property
η	0.0007956	Pa×s	338.76	Calculated Property
η	0.0006743	Pa×s	354.18	Calculated Property
η	0.0005795	Pa×s	369.61	Calculated Property
η	0.0005040	Pa×s	385.04	Calculated Property
η	0.0004432	Pa×s	400.47	Calculated Property
η	0.0003934	Pa×s	415.89	Calculated Property
η	0.0003522	Pa×s	431.32	Calculated Property
η	0.0003177	Pa×s	446.75	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxaldehyde.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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