Chemical Properties of 3-Cyclohexene-1-carboxylic acid (CAS 4771-80-6)

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)

InChI Key

VUSWCWPCANWBFG-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

O=C(O)C1CC=CCC1

Molecular Weight¹

126.15

CAS

4771-80-6

Other Names

• 1,2,3,6-Tetrahydrobenzoic acid
• 1-Cyclohexene-4-carboxylic acid
• 3-Cyclohexenecarboxylic acid
• Kyselina 1,2,5,6-tetrahydrobenzoova
• NSC 44712
• NSC 44883
• cyclohex-3-ene-1-carboxylic acid
• «delta»3-Cyclohexenecarboxylic acid
• «delta»3-Cyclohexenylcarboxylic 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• 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 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	[123.01; 345.02]	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			-5.67000e+01
Coefficient B			7.85700e-01
Coefficient C			-4.97880e-04
Coefficient D			1.13900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.01	J/mol×K	273.00	Calculated Property
Cp,gas	163.99	J/mol×K	353.78	Calculated Property
Cp,gas	200.06	J/mol×K	434.56	Calculated Property
Cp,gas	231.56	J/mol×K	515.33	Calculated Property
Cp,gas	258.87	J/mol×K	596.11	Calculated Property
Cp,gas	282.34	J/mol×K	676.89	Calculated Property
Cp,gas	302.33	J/mol×K	757.67	Calculated Property
Cp,gas	319.20	J/mol×K	838.44	Calculated Property
Cp,gas	333.31	J/mol×K	919.22	Calculated Property
Cp,gas	345.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045188; 0.0002954]	Pa×s	[290.15; 525.54]	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			-1.14895e+01
Coefficient B			1.76701e+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.			290.15
Temperature range, max.			525.54
η	0.0045188	Pa×s	290.15	Calculated Property
η	0.0027310	Pa×s	316.30	Calculated Property
η	0.0017825	Pa×s	342.46	Calculated Property
η	0.0012361	Pa×s	368.61	Calculated Property
η	0.0008997	Pa×s	394.77	Calculated Property
η	0.0006813	Pa×s	420.92	Calculated Property
η	0.0005329	Pa×s	447.08	Calculated Property
η	0.0004283	Pa×s	473.23	Calculated Property
η	0.0003523	Pa×s	499.39	Calculated Property
η	0.0002954	Pa×s	525.54	Calculated Property

Similar Compounds

Find more compounds similar to 3-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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