Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester

InChI

InChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3

InChI Key

FCCGTJAGEHZPBF-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCOC(=O)C1CC2C=CC1C2

Molecular Weight¹

166.22

Other Names

• Ethyl 5-norbornene-2-carboxylate
• 2,5-Endomethylene-3-cyclohexene carboxylic acid, ethyl ester
• 5-Norbornene-2-carboxylic acid, ethyl ester

• 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	[177.97; 479.96]	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			-7.26790e+01
Coefficient B			1.10872e+00
Coefficient C			-7.51480e-04
Coefficient D			1.95400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.97	J/mol×K	273.00	Calculated Property
Cp,gas	234.16	J/mol×K	353.78	Calculated Property
Cp,gas	283.25	J/mol×K	434.56	Calculated Property
Cp,gas	325.85	J/mol×K	515.33	Calculated Property
Cp,gas	362.60	J/mol×K	596.11	Calculated Property
Cp,gas	394.09	J/mol×K	676.89	Calculated Property
Cp,gas	420.96	J/mol×K	757.67	Calculated Property
Cp,gas	443.81	J/mol×K	838.44	Calculated Property
Cp,gas	463.27	J/mol×K	919.22	Calculated Property
Cp,gas	479.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015558; 0.0007136]	Pa×s	[273.67; 492.56]	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			-8.21969e+00
Coefficient B			4.80000e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			273.67
Temperature range, max.			492.56
η	0.0015558	Pa×s	273.67	Calculated Property
η	0.0013483	Pa×s	297.99	Calculated Property
η	0.0011940	Pa×s	322.31	Calculated Property
η	0.0010755	Pa×s	346.63	Calculated Property
η	0.0009822	Pa×s	370.95	Calculated Property
η	0.0009070	Pa×s	395.27	Calculated Property
η	0.0008454	Pa×s	419.59	Calculated Property
η	0.0007940	Pa×s	443.91	Calculated Property
η	0.0007507	Pa×s	468.23	Calculated Property
η	0.0007136	Pa×s	492.56	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl 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

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