Chemical Properties of Cyclohexylphenylacetic acid

InChI

InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)

InChI Key

AAJLPPDFIRPBDA-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

O=C(O)C(c1ccccc1)C1CCCCC1

Molecular Weight¹

218.30

Other Names

• Benzeneacetic acid, «alpha»-cyclohexyl-
• «alpha»-Cyclohexylphenylacetic 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_boil : Normal Boiling Point Temperature (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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.41; 619.47]	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			-1.06430e+02
Coefficient B			1.43370e+00
Coefficient C			-9.25800e-04
Coefficient D			2.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.41	J/mol×K	273.00	Calculated Property
Cp,gas	294.56	J/mol×K	353.78	Calculated Property
Cp,gas	359.65	J/mol×K	434.56	Calculated Property
Cp,gas	416.37	J/mol×K	515.33	Calculated Property
Cp,gas	465.41	J/mol×K	596.11	Calculated Property
Cp,gas	507.45	J/mol×K	676.89	Calculated Property
Cp,gas	543.19	J/mol×K	757.67	Calculated Property
Cp,gas	573.31	J/mol×K	838.44	Calculated Property
Cp,gas	598.51	J/mol×K	919.22	Calculated Property
Cp,gas	619.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018250; 0.0001720]	Pa×s	[415.70; 669.00]	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			-1.25441e+01
Coefficient B			2.59313e+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.			415.70
Temperature range, max.			669.00
η	0.0018250	Pa×s	415.70	Calculated Property
η	0.0012288	Pa×s	443.84	Calculated Property
η	0.0008673	Pa×s	471.99	Calculated Property
η	0.0006367	Pa×s	500.13	Calculated Property
η	0.0004830	Pa×s	528.28	Calculated Property
η	0.0003768	Pa×s	556.42	Calculated Property
η	0.0003011	Pa×s	584.57	Calculated Property
η	0.0002456	Pa×s	612.71	Calculated Property
η	0.0002039	Pa×s	640.86	Calculated Property
η	0.0001720	Pa×s	669.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexylphenylacetic acid.

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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