Chemical Properties of Isophthalic acid, cis-tetradec-3-enyl isohexyl ester

InChI

InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-31-27(29)25-19-16-20-26(23-25)28(30)32-22-17-18-24(2)3/h13-14,16,19-20,23-24H,4-12,15,17-18,21-22H2,1-3H3/b14-13-

InChI Key

OJOZKYZRYFPQDL-YPKPFQOOSA-N

Formula

C28H44O4

SMILES

CCCCCCCCCC/C=C\CCOC(=O)c1cccc(C(=O)OCCCC(C)C)c1

Molecular Weight¹

444.66

• ω : Acentric Factor.
• 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).
• 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 Enthalpy of formation at standard conditions, 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	[563.12; 1328.48]	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			-7.21600e+00
Coefficient B			2.44176e+00
Coefficient C			-1.36136e-03
Coefficient D			2.55300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	563.12	J/mol×K	273.00	Calculated Property
Cp,gas	697.54	J/mol×K	353.78	Calculated Property
Cp,gas	817.74	J/mol×K	434.56	Calculated Property
Cp,gas	924.51	J/mol×K	515.33	Calculated Property
Cp,gas	1018.67	J/mol×K	596.11	Calculated Property
Cp,gas	1101.02	J/mol×K	676.89	Calculated Property
Cp,gas	1172.37	J/mol×K	757.67	Calculated Property
Cp,gas	1233.52	J/mol×K	838.44	Calculated Property
Cp,gas	1285.29	J/mol×K	919.22	Calculated Property
Cp,gas	1328.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003545; 0.0000187]	Pa×s	[508.84; 850.80]	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			-1.52607e+01
Coefficient B			3.72258e+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.			508.84
Temperature range, max.			850.80
η	0.0003545	Pa×s	508.84	Calculated Property
η	0.0002132	Pa×s	546.84	Calculated Property
η	0.0001370	Pa×s	584.83	Calculated Property
η	0.0000929	Pa×s	622.83	Calculated Property
η	0.0000659	Pa×s	660.82	Calculated Property
η	0.0000485	Pa×s	698.82	Calculated Property
η	0.0000369	Pa×s	736.81	Calculated Property
η	0.0000288	Pa×s	774.81	Calculated Property
η	0.0000230	Pa×s	812.81	Calculated Property
η	0.0000187	Pa×s	850.80	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cis-tetradec-3-enyl isohexyl ester.

Sources

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

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