Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, ethyl 3-phenylpropyl ester

InChI

InChI=1S/C19H26O4/c1-2-22-18(20)16-12-6-7-13-17(16)19(21)23-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,2,6-8,11-14H2,1H3

InChI Key

KWJDBMFJIKNDEI-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

318.41

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, 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	[348.11; 888.98]	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			-5.71360e+01
Coefficient B			1.71592e+00
Coefficient C			-8.77400e-04
Coefficient D			1.07600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.11	J/mol×K	273.00	Calculated Property
Cp,gas	444.87	J/mol×K	353.78	Calculated Property
Cp,gas	531.67	J/mol×K	434.56	Calculated Property
Cp,gas	608.85	J/mol×K	515.33	Calculated Property
Cp,gas	676.75	J/mol×K	596.11	Calculated Property
Cp,gas	735.72	J/mol×K	676.89	Calculated Property
Cp,gas	786.08	J/mol×K	757.67	Calculated Property
Cp,gas	828.19	J/mol×K	838.44	Calculated Property
Cp,gas	862.37	J/mol×K	919.22	Calculated Property
Cp,gas	888.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014984; 0.0000987]	Pa×s	[418.11; 706.07]	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			-1.31737e+01
Coefficient B			2.78892e+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.			418.11
Temperature range, max.			706.07
η	0.0014984	Pa×s	418.11	Calculated Property
η	0.0009326	Pa×s	450.11	Calculated Property
η	0.0006182	Pa×s	482.10	Calculated Property
η	0.0004313	Pa×s	514.10	Calculated Property
η	0.0003139	Pa×s	546.09	Calculated Property
η	0.0002366	Pa×s	578.09	Calculated Property
η	0.0001837	Pa×s	610.08	Calculated Property
η	0.0001463	Pa×s	642.08	Calculated Property
η	0.0001190	Pa×s	674.07	Calculated Property
η	0.0000987	Pa×s	706.07	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl 3-phenylpropyl 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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