Chemical Properties of 3-Cyclohexene-1-carboxylic acid, methyl ester

InChI

InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChI Key

IPUNVLFESXFVFH-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

COC(=O)C1CC=CCC1

Molecular Weight¹

140.18

Other Names

• 1,3-Butadiene-methyl acrylate adduct
• 1-Carbomethoxy-3-cyclohexene
• Methyl 1,2,3,6-tetrahydrobenzoate
• Methyl 3-cyclohexene-1-carboxylate
• Methyl 3-cyclohexenecarboxylate
• Methyl 4-cyclohexenecarboxylate
• Methyl ester of 3-cyclohexene-1-carboxylic acid
• methyl cyclohex-3-enecarboxylate

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-329.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.90	kJ/mol	Joback Calculated Property
ΔvapH°	58.15	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
I	[1446.60; 1446.60]
I	1446.60		NIST
I	1446.60		NIST
Tboil	450.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[242.04; 321.89]	J/mol×K	[459.57; 669.95]
Cp,gas	242.04	J/mol×K	459.57	Joback Calculated Property
Cp,gas	257.31	J/mol×K	494.63	Joback Calculated Property
Cp,gas	271.78	J/mol×K	529.70	Joback Calculated Property
Cp,gas	285.46	J/mol×K	564.76	Joback Calculated Property
Cp,gas	298.37	J/mol×K	599.82	Joback Calculated Property
Cp,gas	310.51	J/mol×K	634.88	Joback Calculated Property
Cp,gas	321.89	J/mol×K	669.95	Joback Calculated Property
η	[0.0002570; 0.0063538]	Pa×s	[230.39; 459.57]
η	0.0063538	Pa×s	230.39	Joback Calculated Property
η	0.0025454	Pa×s	268.59	Joback Calculated Property
η	0.0012806	Pa×s	306.78	Joback Calculated Property
η	0.0007501	Pa×s	344.98	Joback Calculated Property
η	0.0004888	Pa×s	383.18	Joback Calculated Property
η	0.0003443	Pa×s	421.37	Joback Calculated Property
η	0.0002570	Pa×s	459.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-carboxylic acid, methyl ester.

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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