Chemical Properties of Isophthalic acid, butyl trans-hex-3-enyl ester

InChI

InChI=1S/C18H24O4/c1-3-5-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-6-4-2/h5,7,9-11,14H,3-4,6,8,12-13H2,1-2H3/b7-5+

InChI Key

QJWBUTMYQPXRQV-FNORWQNLSA-N

Formula

C18H24O4

SMILES

CCC=CCCOC(=O)c1cccc(C(=O)OCCCC)c1

Molecular Weight¹

304.38

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.30; 812.04]	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			3.55600e+00
Coefficient B			1.48584e+00
Coefficient C			-8.14160e-04
Coefficient D			1.36800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.30	J/mol×K	273.00	Calculated Property
Cp,gas	433.37	J/mol×K	353.78	Calculated Property
Cp,gas	506.72	J/mol×K	434.56	Calculated Property
Cp,gas	571.77	J/mol×K	515.33	Calculated Property
Cp,gas	628.95	J/mol×K	596.11	Calculated Property
Cp,gas	678.70	J/mol×K	676.89	Calculated Property
Cp,gas	721.45	J/mol×K	757.67	Calculated Property
Cp,gas	757.64	J/mol×K	838.44	Calculated Property
Cp,gas	787.69	J/mol×K	919.22	Calculated Property
Cp,gas	812.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010662; 0.0000786]	Pa×s	[411.14; 674.99]	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			-1.35157e+01
Coefficient B			2.74316e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			411.14
Temperature range, max.			674.99
η	0.0010662	Pa×s	411.14	Calculated Property
η	0.0006839	Pa×s	440.46	Calculated Property
η	0.0004637	Pa×s	469.77	Calculated Property
η	0.0003290	Pa×s	499.09	Calculated Property
η	0.0002425	Pa×s	528.41	Calculated Property
η	0.0001846	Pa×s	557.72	Calculated Property
η	0.0001444	Pa×s	587.04	Calculated Property
η	0.0001156	Pa×s	616.35	Calculated Property
η	0.0000945	Pa×s	645.67	Calculated Property
η	0.0000786	Pa×s	674.99	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl trans-hex-3-enyl ester.

Sources

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

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