Chemical Properties of Terephthalic acid, but-3-enyl tetradecyl ester

InChI

InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-30-26(28)24-19-17-23(18-20-24)25(27)29-21-6-4-2/h4,17-20H,2-3,5-16,21-22H2,1H3

InChI Key

UDJUTGZTMZZFSI-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

C=CCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCCC)cc1

Molecular Weight¹

416.59

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.20; 1226.83]	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			7.47500e+00
Coefficient B			2.20582e+00
Coefficient C			-1.18846e-03
Coefficient D			2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.20	J/mol×K	273.00	Calculated Property
Cp,gas	648.04	J/mol×K	353.78	Calculated Property
Cp,gas	758.18	J/mol×K	434.56	Calculated Property
Cp,gas	856.24	J/mol×K	515.33	Calculated Property
Cp,gas	942.86	J/mol×K	596.11	Calculated Property
Cp,gas	1018.69	J/mol×K	676.89	Calculated Property
Cp,gas	1084.36	J/mol×K	757.67	Calculated Property
Cp,gas	1140.52	J/mol×K	838.44	Calculated Property
Cp,gas	1187.80	J/mol×K	919.22	Calculated Property
Cp,gas	1226.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004421; 0.0000344]	Pa×s	[504.62; 804.95]	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			-1.45709e+01
Coefficient B			3.45504e+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.			504.62
Temperature range, max.			804.95
η	0.0004421	Pa×s	504.62	Calculated Property
η	0.0002891	Pa×s	537.99	Calculated Property
η	0.0001987	Pa×s	571.36	Calculated Property
η	0.0001423	Pa×s	604.73	Calculated Property
η	0.0001056	Pa×s	638.10	Calculated Property
η	0.0000807	Pa×s	671.47	Calculated Property
η	0.0000632	Pa×s	704.84	Calculated Property
η	0.0000506	Pa×s	738.21	Calculated Property
η	0.0000414	Pa×s	771.58	Calculated Property
η	0.0000344	Pa×s	804.95	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-3-enyl tetradecyl ester.

Sources

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

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