Chemical Properties of 1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid

InChI

InChI=1S/C13H15ClO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)

InChI Key

UPNXUJXIIZGXLQ-UHFFFAOYSA-N

Formula

C13H15ClO2

SMILES

O=C(O)C1(c2ccc(Cl)cc2)CCCCC1

Molecular Weight¹

238.71

Other Names

• 1-(4-Chlorophenyl)-1-cyclohexane-carboxylic acid
• 1-(4-chlorophenyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 1-(4-chlorophenyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.54; 579.90]	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			-1.26640e+02
Coefficient B			1.57200e+00
Coefficient C			-1.35416e-03
Coefficient D			4.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.54	J/mol×K	273.00	Calculated Property
Cp,gas	281.65	J/mol×K	353.78	Calculated Property
Cp,gas	340.87	J/mol×K	434.56	Calculated Property
Cp,gas	390.72	J/mol×K	515.33	Calculated Property
Cp,gas	432.77	J/mol×K	596.11	Calculated Property
Cp,gas	468.55	J/mol×K	676.89	Calculated Property
Cp,gas	499.60	J/mol×K	757.67	Calculated Property
Cp,gas	527.48	J/mol×K	838.44	Calculated Property
Cp,gas	553.73	J/mol×K	919.22	Calculated Property
Cp,gas	579.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Chlorophenyl)cyclohexane-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, 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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