Chemical Properties of Phthalic acid, cis-hex-3-enyl isohexyl ester

InChI

InChI=1S/C20H28O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3/b6-5-

InChI Key

AGAAXVMDJRHJHI-WAYWQWQTSA-N

Formula

C20H28O4

SMILES

CC/C=C\CCOC(=O)c1ccccc1C(=O)OCCCC(C)C

Molecular Weight¹

332.44

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[393.41; 915.76]	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			5.60000e-02
Coefficient B			1.68176e+00
Coefficient C			-9.26160e-04
Coefficient D			1.60100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.41	J/mol×K	273.00	Calculated Property
Cp,gas	486.20	J/mol×K	353.78	Calculated Property
Cp,gas	569.12	J/mol×K	434.56	Calculated Property
Cp,gas	642.67	J/mol×K	515.33	Calculated Property
Cp,gas	707.38	J/mol×K	596.11	Calculated Property
Cp,gas	763.73	J/mol×K	676.89	Calculated Property
Cp,gas	812.23	J/mol×K	757.67	Calculated Property
Cp,gas	853.40	J/mol×K	838.44	Calculated Property
Cp,gas	887.74	J/mol×K	919.22	Calculated Property
Cp,gas	915.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010411; 0.0000576]	Pa×s	[418.68; 707.29]	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			-1.39595e+01
Coefficient B			2.96930e+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.			418.68
Temperature range, max.			707.29
η	0.0010411	Pa×s	418.68	Calculated Property
η	0.0006286	Pa×s	450.75	Calculated Property
η	0.0004058	Pa×s	482.82	Calculated Property
η	0.0002767	Pa×s	514.88	Calculated Property
η	0.0001973	Pa×s	546.95	Calculated Property
η	0.0001461	Pa×s	579.02	Calculated Property
η	0.0001116	Pa×s	611.09	Calculated Property
η	0.0000876	Pa×s	643.16	Calculated Property
η	0.0000703	Pa×s	675.23	Calculated Property
η	0.0000576	Pa×s	707.29	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, cis-hex-3-enyl isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.