Chemical Properties of Terephthalic acid, but-2-enyl isobutyl ester

InChI

InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4-

InChI Key

MGGGGDZVIFIYRK-SNAWJCMRSA-N

Formula

C16H20O4

SMILES

C/C=C/COC(=O)c1ccc(C(=O)OCC(C)C)cc1

Molecular Weight¹

276.33

• 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).
• 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 Pressure, 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	[308.55; 709.39]	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			3.69200e+00
Coefficient B			1.30176e+00
Coefficient C			-7.08560e-04
Coefficient D			1.12500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.55	J/mol×K	273.00	Calculated Property
Cp,gas	380.52	J/mol×K	353.78	Calculated Property
Cp,gas	444.81	J/mol×K	434.56	Calculated Property
Cp,gas	501.76	J/mol×K	515.33	Calculated Property
Cp,gas	551.73	J/mol×K	596.11	Calculated Property
Cp,gas	595.08	J/mol×K	676.89	Calculated Property
Cp,gas	632.17	J/mol×K	757.67	Calculated Property
Cp,gas	663.34	J/mol×K	838.44	Calculated Property
Cp,gas	688.97	J/mol×K	919.22	Calculated Property
Cp,gas	709.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016471; 0.0000875]	Pa×s	[373.60; 647.43]	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			-1.33484e+01
Coefficient B			2.59266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			373.60
Temperature range, max.			647.43
η	0.0016471	Pa×s	373.60	Calculated Property
η	0.0009767	Pa×s	404.03	Calculated Property
η	0.0006231	Pa×s	434.45	Calculated Property
η	0.0004217	Pa×s	464.88	Calculated Property
η	0.0002994	Pa×s	495.30	Calculated Property
η	0.0002211	Pa×s	525.73	Calculated Property
η	0.0001688	Pa×s	556.15	Calculated Property
η	0.0001326	Pa×s	586.58	Calculated Property
η	0.0001066	Pa×s	617.00	Calculated Property
η	0.0000875	Pa×s	647.43	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-2-enyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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