Chemical Properties of Ethyl 3-cyclohexenecarboxylate (CAS 15111-56-5)

InChI

InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-4,8H,2,5-7H2,1H3

InChI Key

BYNLHLLOIZDKIC-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CCOC(=O)C1CC=CCC1

Molecular Weight¹

154.21

CAS

15111-56-5

Other Names

• 3-Cyclohexene-1-carboxylic acid, ethyl ester
• Ethyl 3-cyclohexencarboxylate
• ethyl cyclohex-3-ene-1-carboxylate

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.15; 445.53]	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			-3.77090e+01
Coefficient B			8.70120e-01
Coefficient C			-4.39480e-04
Coefficient D			5.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.15	J/mol×K	273.00	Calculated Property
Cp,gas	217.44	J/mol×K	353.78	Calculated Property
Cp,gas	261.73	J/mol×K	434.56	Calculated Property
Cp,gas	301.18	J/mol×K	515.33	Calculated Property
Cp,gas	335.95	J/mol×K	596.11	Calculated Property
Cp,gas	366.22	J/mol×K	676.89	Calculated Property
Cp,gas	392.14	J/mol×K	757.67	Calculated Property
Cp,gas	413.89	J/mol×K	838.44	Calculated Property
Cp,gas	431.63	J/mol×K	919.22	Calculated Property
Cp,gas	445.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062656; 0.0002409]	Pa×s	[241.66; 482.94]	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			-1.15947e+01
Coefficient B			1.57611e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.66
Temperature range, max.			482.94
η	0.0062656	Pa×s	241.66	Calculated Property
η	0.0032668	Pa×s	268.47	Calculated Property
η	0.0019171	Pa×s	295.28	Calculated Property
η	0.0012294	Pa×s	322.09	Calculated Property
η	0.0008441	Pa×s	348.89	Calculated Property
η	0.0006115	Pa×s	375.70	Calculated Property
η	0.0004624	Pa×s	402.51	Calculated Property
η	0.0003621	Pa×s	429.32	Calculated Property
η	0.0002918	Pa×s	456.13	Calculated Property
η	0.0002409	Pa×s	482.94	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-cyclohexenecarboxylate.

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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