Chemical Properties of Phthalic acid, hexyl trans-hex-3-enyl ester

InChI

InChI=1S/C20H28O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h5,7,9-10,13-14H,3-4,6,8,11-12,15-16H2,1-2H3/b7-5+

InChI Key

BNURUOWZODZXSR-FNORWQNLSA-N

Formula

C20H28O4

SMILES

CCC=CCCOC(=O)c1ccccc1C(=O)OCCCCCC

Molecular Weight¹

332.43

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[393.72; 915.22]	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			1.73800e+00
Coefficient B			1.67584e+00
Coefficient C			-9.22960e-04
Coefficient D			1.60600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.72	J/mol×K	273.00	Calculated Property
Cp,gas	486.21	J/mol×K	353.78	Calculated Property
Cp,gas	568.87	J/mol×K	434.56	Calculated Property
Cp,gas	642.22	J/mol×K	515.33	Calculated Property
Cp,gas	706.77	J/mol×K	596.11	Calculated Property
Cp,gas	763.02	J/mol×K	676.89	Calculated Property
Cp,gas	811.49	J/mol×K	757.67	Calculated Property
Cp,gas	852.67	J/mol×K	838.44	Calculated Property
Cp,gas	887.07	J/mol×K	919.22	Calculated Property
Cp,gas	915.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008536; 0.0000629]	Pa×s	[433.68; 706.09]	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			-1.38255e+01
Coefficient B			2.93148e+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.			433.68
Temperature range, max.			706.09
η	0.0008536	Pa×s	433.68	Calculated Property
η	0.0005492	Pa×s	463.95	Calculated Property
η	0.0003730	Pa×s	494.22	Calculated Property
η	0.0002649	Pa×s	524.48	Calculated Property
η	0.0001953	Pa×s	554.75	Calculated Property
η	0.0001485	Pa×s	585.02	Calculated Property
η	0.0001161	Pa×s	615.29	Calculated Property
η	0.0000929	Pa×s	645.55	Calculated Property
η	0.0000758	Pa×s	675.82	Calculated Property
η	0.0000629	Pa×s	706.09	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hexyl trans-hex-3-enyl ester.

Sources

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

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