Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 3-phenylpropyl ester

InChI

InChI=1S/C19H24O4/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/h3-7,9-10,16-17H,2,8,11-14H2,1H3

InChI Key

IIFLFIBYMGAWNO-UHFFFAOYSA-N

Formula

C19H24O4

SMILES

CCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

316.40

• 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	[341.63; 857.68]	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			-4.93560e+01
Coefficient B			1.65992e+00
Coefficient C			-8.64680e-04
Coefficient D			1.11800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.63	J/mol×K	273.00	Calculated Property
Cp,gas	434.61	J/mol×K	353.78	Calculated Property
Cp,gas	517.86	J/mol×K	434.56	Calculated Property
Cp,gas	591.72	J/mol×K	515.33	Calculated Property
Cp,gas	656.56	J/mol×K	596.11	Calculated Property
Cp,gas	712.72	J/mol×K	676.89	Calculated Property
Cp,gas	760.56	J/mol×K	757.67	Calculated Property
Cp,gas	800.43	J/mol×K	838.44	Calculated Property
Cp,gas	832.69	J/mol×K	919.22	Calculated Property
Cp,gas	857.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014181; 0.0001035]	Pa×s	[418.87; 706.47]	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			-1.29880e+01
Coefficient B			2.69316e+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.			418.87
Temperature range, max.			706.47
η	0.0014181	Pa×s	418.87	Calculated Property
η	0.0008991	Pa×s	450.83	Calculated Property
η	0.0006054	Pa×s	482.78	Calculated Property
η	0.0004282	Pa×s	514.74	Calculated Property
η	0.0003154	Pa×s	546.69	Calculated Property
η	0.0002403	Pa×s	578.65	Calculated Property
η	0.0001883	Pa×s	610.61	Calculated Property
η	0.0001512	Pa×s	642.56	Calculated Property
η	0.0001240	Pa×s	674.52	Calculated Property
η	0.0001035	Pa×s	706.47	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic 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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