Chemical Properties of Methyl 1-cyclohexene-1-carboxylate

InChI

InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChI Key

KXPWRCPEMHIZGU-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

COC(=O)C1=CCCCC1

Molecular Weight¹

140.18

Other Names

• 1-Cyclohexene-1-carboxylic acid, methyl ester
• Methyl 1-Cyclohexenecarboxylate
• methyl cyclohex-1-ene-1-carboxylate

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.22; 384.24]	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			-2.84400e+01
Coefficient B			7.42120e-01
Coefficient C			-3.73440e-04
Coefficient D			4.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.22	J/mol×K	273.00	Calculated Property
Cp,gas	189.31	J/mol×K	353.78	Calculated Property
Cp,gas	227.14	J/mol×K	434.56	Calculated Property
Cp,gas	260.85	J/mol×K	515.33	Calculated Property
Cp,gas	290.57	J/mol×K	596.11	Calculated Property
Cp,gas	316.44	J/mol×K	676.89	Calculated Property
Cp,gas	338.60	J/mol×K	757.67	Calculated Property
Cp,gas	357.20	J/mol×K	838.44	Calculated Property
Cp,gas	372.36	J/mol×K	919.22	Calculated Property
Cp,gas	384.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058863; 0.0002234]	Pa×s	[247.15; 476.86]	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			-1.19261e+01
Coefficient B			1.67838e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			247.15
Temperature range, max.			476.86
η	0.0058863	Pa×s	247.15	Calculated Property
η	0.0031173	Pa×s	272.67	Calculated Property
η	0.0018407	Pa×s	298.20	Calculated Property
η	0.0011810	Pa×s	323.72	Calculated Property
η	0.0008085	Pa×s	349.24	Calculated Property
η	0.0005828	Pa×s	374.77	Calculated Property
η	0.0004381	Pa×s	400.29	Calculated Property
η	0.0003407	Pa×s	425.81	Calculated Property
η	0.0002726	Pa×s	451.34	Calculated Property
η	0.0002234	Pa×s	476.86	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 1-cyclohexene-1-carboxylate.

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

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