Chemical Properties of 1-Cyclohexene-1-carboxylic acid

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)

InChI Key

NMEZJSDUZQOPFE-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

O=C(O)C1=CCCCC1

Molecular Weight¹

126.15

Other Names

• 1-Cyclohexenecarboxylic acid

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate 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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.29; 335.32]	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			-4.83400e+01
Coefficient B			7.52700e-01
Coefficient C			-4.86240e-04
Coefficient D			1.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.29	J/mol×K	273.00	Calculated Property
Cp,gas	162.28	J/mol×K	353.78	Calculated Property
Cp,gas	196.55	J/mol×K	434.56	Calculated Property
Cp,gas	226.46	J/mol×K	515.33	Calculated Property
Cp,gas	252.39	J/mol×K	596.11	Calculated Property
Cp,gas	274.72	J/mol×K	676.89	Calculated Property
Cp,gas	293.80	J/mol×K	757.67	Calculated Property
Cp,gas	310.02	J/mol×K	838.44	Calculated Property
Cp,gas	323.73	J/mol×K	919.22	Calculated Property
Cp,gas	335.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038766; 0.0002634]	Pa×s	[308.15; 533.18]	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			-1.19245e+01
Coefficient B			1.96344e+03
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.			308.15
Temperature range, max.			533.18
η	0.0038766	Pa×s	308.15	Calculated Property
η	0.0024031	Pa×s	333.15	Calculated Property
η	0.0015926	Pa×s	358.16	Calculated Property
η	0.0011136	Pa×s	383.16	Calculated Property
η	0.0008136	Pa×s	408.16	Calculated Property
η	0.0006163	Pa×s	433.17	Calculated Property
η	0.0004813	Pa×s	458.17	Calculated Property
η	0.0003855	Pa×s	483.17	Calculated Property
η	0.0003157	Pa×s	508.17	Calculated Property
η	0.0002634	Pa×s	533.18	Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-carboxylic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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