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

InChI

InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-13-14-20-28-24(26)22-17-15-21(16-18-22)23(25)27-19-6-4-2/h4,15-18H,2-3,5-14,19-20H2,1H3

InChI Key

WVRRLDMTDAOCTB-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

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

Molecular Weight¹

388.55

• 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	[482.77; 1123.65]	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			9.29300e+00
Coefficient B			2.01582e+00
Coefficient C			-1.07966e-03
Coefficient D			1.78200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.77	J/mol×K	273.00	Calculated Property
Cp,gas	595.21	J/mol×K	353.78	Calculated Property
Cp,gas	696.02	J/mol×K	434.56	Calculated Property
Cp,gas	785.78	J/mol×K	515.33	Calculated Property
Cp,gas	865.04	J/mol×K	596.11	Calculated Property
Cp,gas	934.37	J/mol×K	676.89	Calculated Property
Cp,gas	994.33	J/mol×K	757.67	Calculated Property
Cp,gas	1045.49	J/mol×K	838.44	Calculated Property
Cp,gas	1088.41	J/mol×K	919.22	Calculated Property
Cp,gas	1123.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005721; 0.0000461]	Pa×s	[482.08; 767.30]	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			-1.42426e+01
Coefficient B			3.26672e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			482.08
Temperature range, max.			767.30
η	0.0005721	Pa×s	482.08	Calculated Property
η	0.0003766	Pa×s	513.77	Calculated Property
η	0.0002603	Pa×s	545.46	Calculated Property
η	0.0001874	Pa×s	577.15	Calculated Property
η	0.0001395	Pa×s	608.84	Calculated Property
η	0.0001070	Pa×s	640.53	Calculated Property
η	0.0000841	Pa×s	672.23	Calculated Property
η	0.0000676	Pa×s	703.92	Calculated Property
η	0.0000554	Pa×s	735.61	Calculated Property
η	0.0000461	Pa×s	767.30	Calculated Property

Similar Compounds

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

Sources

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

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