Chemical Properties of 3-Cyclohexene-1-carboxaldehyde

InChI

InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2

InChI Key

DCFDVJPDXYGCOK-UHFFFAOYSA-N

Formula

C7H10O

SMILES

O=CC1CC=CCC1

Molecular Weight¹

110.16

Other Names

• 1,2,3,6-Tetrahydrobenzaldehyde
• 1,2,3,6-Tetrahydrobenzaldehyde(1,2,5,6)
• 1,2,5,6-Tetrahydrobenzaldehyde
• 1-Cyclohexene-4-carboxaldehyde
• 1-Formyl-3-cyclohexene
• 3-Cyclohexen-1-aldehyde
• 4-Cyclohexene-1-carboxaldehyde
• 4-Formylcyclohexene
• Cyclohexene-4-carboxaldehyde
• NSC 16241
• UN 2498
• cyclohex-3-ene-1-carbaldehyde

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfH°gas	-100.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.23	kJ/mol	Joback Calculated Property
ΔvapH°	48.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	95.900	ml/mol	McGowan Calculated Property
I	1490.00		NIST
Tboil	[437.00; 438.15]	K
Tboil	437.20	K	NIST
Tboil	438.15	K	NIST
Tboil	437.00 ± 3.00	K	NIST
Tfus	177.10 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[183.33; 254.64]	J/mol×K	[427.13; 639.60]
Cp,gas	183.33	J/mol×K	427.13	Joback Calculated Property
Cp,gas	197.03	J/mol×K	462.54	Joback Calculated Property
Cp,gas	209.98	J/mol×K	497.95	Joback Calculated Property
Cp,gas	222.19	J/mol×K	533.36	Joback Calculated Property
Cp,gas	233.69	J/mol×K	568.78	Joback Calculated Property
Cp,gas	244.50	J/mol×K	604.19	Joback Calculated Property
Cp,gas	254.64	J/mol×K	639.60	Joback Calculated Property
η	[0.0003448; 0.0049031]	Pa×s	[218.79; 427.13]
η	0.0049031	Pa×s	218.79	Joback Calculated Property
η	0.0023267	Pa×s	253.51	Joback Calculated Property
η	0.0013213	Pa×s	288.24	Joback Calculated Property
η	0.0008475	Pa×s	322.96	Joback Calculated Property
η	0.0005925	Pa×s	357.68	Joback Calculated Property
η	0.0004413	Pa×s	392.41	Joback Calculated Property
η	0.0003448	Pa×s	427.13	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-carboxaldehyde.

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.
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