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

• Cyclohexanal
• Cyclohexanaldehyde
• Cyclohexanealdehyde
• Cyclohexylcarboxaldehyde
• Cyclohexylformaldehyde
• Formylcyclohexane
• 1-Formylcyclohexane
• Cyclohexane-1-carboxaldehyde
• Cyclohexanecarbaldehyde
• Cyclohexylmethanal
• Hexahydrobenzaldehyde
• 1-Cyclohexanecarboxaldehyde
• 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 : 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°	44.53	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
I	1527.00		NIST
Tboil	[432.50; 435.20]	K
Tboil	435.20	K	NIST
Tboil	432.50	K	NIST
Tfus	234.72	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.10; 275.85]	J/mol×K	[427.77; 637.91]
Cp,gas	197.10	J/mol×K	427.77	Joback Calculated Property
Cp,gas	212.12	J/mol×K	462.79	Joback Calculated Property
Cp,gas	226.36	J/mol×K	497.82	Joback Calculated Property
Cp,gas	239.83	J/mol×K	532.84	Joback Calculated Property
Cp,gas	252.56	J/mol×K	567.87	Joback Calculated Property
Cp,gas	264.56	J/mol×K	602.89	Joback Calculated Property
Cp,gas	275.85	J/mol×K	637.91	Joback Calculated Property
η	[0.0003610; 0.0065154]	Pa×s	[218.03; 427.77]
η	0.0065154	Pa×s	218.03	Joback Calculated Property
η	0.0028831	Pa×s	252.99	Joback Calculated Property
η	0.0015551	Pa×s	287.94	Joback Calculated Property
η	0.0009587	Pa×s	322.90	Joback Calculated Property
η	0.0006497	Pa×s	357.86	Joback Calculated Property
η	0.0004718	Pa×s	392.81	Joback Calculated Property
η	0.0003610	Pa×s	427.77	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexanecarboxaldehyde.

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.