Chemical Properties of Isophthalic acid, cis-hex-3-enyl isobutyl ester

InChI

InChI=1S/C18H24O4/c1-4-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(2)3/h5-6,8-10,12,14H,4,7,11,13H2,1-3H3/b6-5-

InChI Key

ONPSLEDZUBPUGM-WAYWQWQTSA-N

Formula

C18H24O4

SMILES

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

Molecular Weight¹

304.38

• 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).
• 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, Enthalpy of vaporization 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	[350.98; 812.57]	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			1.87400e+00
Coefficient B			1.49176e+00
Coefficient C			-8.17360e-04
Coefficient D			1.36300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.98	J/mol×K	273.00	Calculated Property
Cp,gas	433.36	J/mol×K	353.78	Calculated Property
Cp,gas	506.96	J/mol×K	434.56	Calculated Property
Cp,gas	572.22	J/mol×K	515.33	Calculated Property
Cp,gas	629.55	J/mol×K	596.11	Calculated Property
Cp,gas	679.40	J/mol×K	676.89	Calculated Property
Cp,gas	722.20	J/mol×K	757.67	Calculated Property
Cp,gas	758.37	J/mol×K	838.44	Calculated Property
Cp,gas	788.35	J/mol×K	919.22	Calculated Property
Cp,gas	812.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013208; 0.0000720]	Pa×s	[396.14; 676.61]	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			-1.36497e+01
Coefficient B			2.78098e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			396.14
Temperature range, max.			676.61
η	0.0013208	Pa×s	396.14	Calculated Property
η	0.0007916	Pa×s	427.30	Calculated Property
η	0.0005086	Pa×s	458.47	Calculated Property
η	0.0003457	Pa×s	489.63	Calculated Property
η	0.0002461	Pa×s	520.79	Calculated Property
η	0.0001820	Pa×s	551.96	Calculated Property
η	0.0001391	Pa×s	583.12	Calculated Property
η	0.0001092	Pa×s	614.28	Calculated Property
η	0.0000877	Pa×s	645.45	Calculated Property
η	0.0000720	Pa×s	676.61	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cis-hex-3-enyl isobutyl ester.

Sources

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

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