Chemical Properties of Acetic acid, 2-phenylcyclohexyl ester

InChI

InChI=1S/C14H18O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3

InChI Key

OCJKSUSNMXDOGL-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

CC(=O)OC1CCCCC1c1ccccc1

Molecular Weight¹

218.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.70; 622.92]	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			-7.80000e+01
Coefficient B			1.29572e+00
Coefficient C			-7.00000e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.70	J/mol×K	273.00	Calculated Property
Cp,gas	297.44	J/mol×K	353.78	Calculated Property
Cp,gas	361.51	J/mol×K	434.56	Calculated Property
Cp,gas	418.23	J/mol×K	515.33	Calculated Property
Cp,gas	467.93	J/mol×K	596.11	Calculated Property
Cp,gas	510.96	J/mol×K	676.89	Calculated Property
Cp,gas	547.64	J/mol×K	757.67	Calculated Property
Cp,gas	578.30	J/mol×K	838.44	Calculated Property
Cp,gas	603.29	J/mol×K	919.22	Calculated Property
Cp,gas	622.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031760; 0.0001917]	Pa×s	[319.43; 597.14]	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			-1.17891e+01
Coefficient B			1.92840e+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.			319.43
Temperature range, max.			597.14
η	0.0031760	Pa×s	319.43	Calculated Property
η	0.0018660	Pa×s	350.29	Calculated Property
η	0.0011950	Pa×s	381.14	Calculated Property
η	0.0008181	Pa×s	412.00	Calculated Property
η	0.0005904	Pa×s	442.86	Calculated Property
η	0.0004446	Pa×s	473.71	Calculated Property
η	0.0003466	Pa×s	504.57	Calculated Property
η	0.0002781	Pa×s	535.43	Calculated Property
η	0.0002285	Pa×s	566.28	Calculated Property
η	0.0001917	Pa×s	597.14	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2-phenylcyclohexyl 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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