Chemical Properties of Isophthalic acid, hexyl 3-methylbut-2-yl ester

InChI

InChI=1S/C19H28O4/c1-5-6-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-15(4)14(2)3/h9-11,13-15H,5-8,12H2,1-4H3

InChI Key

MHVSGFYMADTSEZ-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)OC(C)C(C)C)c1

Molecular Weight¹

320.42

• 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).
• 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, 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	[385.88; 895.29]	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			1.34650e+01
Coefficient B			1.57268e+00
Coefficient C			-7.91160e-04
Coefficient D			1.00300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.88	J/mol×K	273.00	Calculated Property
Cp,gas	475.26	J/mol×K	353.78	Calculated Property
Cp,gas	555.71	J/mol×K	434.56	Calculated Property
Cp,gas	627.54	J/mol×K	515.33	Calculated Property
Cp,gas	691.07	J/mol×K	596.11	Calculated Property
Cp,gas	746.61	J/mol×K	676.89	Calculated Property
Cp,gas	794.48	J/mol×K	757.67	Calculated Property
Cp,gas	835.01	J/mol×K	838.44	Calculated Property
Cp,gas	868.51	J/mol×K	919.22	Calculated Property
Cp,gas	895.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015692; 0.0000699]	Pa×s	[397.49; 686.53]	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			-1.38453e+01
Coefficient B			2.93672e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			397.49
Temperature range, max.			686.53
η	0.0015692	Pa×s	397.49	Calculated Property
η	0.0009033	Pa×s	429.61	Calculated Property
η	0.0005615	Pa×s	461.72	Calculated Property
η	0.0003713	Pa×s	493.84	Calculated Property
η	0.0002582	Pa×s	525.95	Calculated Property
η	0.0001873	Pa×s	558.07	Calculated Property
η	0.0001406	Pa×s	590.19	Calculated Property
η	0.0001088	Pa×s	622.30	Calculated Property
η	0.0000863	Pa×s	654.42	Calculated Property
η	0.0000699	Pa×s	686.53	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 3-methylbut-2-yl ester.

Sources

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

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