Chemical Properties of Isophthalic acid, butyl 2-methylcyclohexyl ester

InChI

InChI=1S/C19H26O4/c1-3-4-12-22-18(20)15-9-7-10-16(13-15)19(21)23-17-11-6-5-8-14(17)2/h7,9-10,13-14,17H,3-6,8,11-12H2,1-2H3

InChI Key

BSJJPRYLUFUFLB-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CCCCOC(=O)c1cccc(C(=O)OC2CCCCC2C)c1

Molecular Weight¹

318.41

• 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	[350.66; 885.94]	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			-4.28370e+01
Coefficient B			1.65644e+00
Coefficient C			-8.10360e-04
Coefficient D			8.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.66	J/mol×K	273.00	Calculated Property
Cp,gas	445.41	J/mol×K	353.78	Calculated Property
Cp,gas	530.74	J/mol×K	434.56	Calculated Property
Cp,gas	606.89	J/mol×K	515.33	Calculated Property
Cp,gas	674.14	J/mol×K	596.11	Calculated Property
Cp,gas	732.75	J/mol×K	676.89	Calculated Property
Cp,gas	782.97	J/mol×K	757.67	Calculated Property
Cp,gas	825.07	J/mol×K	838.44	Calculated Property
Cp,gas	859.30	J/mol×K	919.22	Calculated Property
Cp,gas	885.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012037; 0.0000986]	Pa×s	[430.63; 710.09]	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			-1.30797e+01
Coefficient B			2.73766e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			430.63
Temperature range, max.			710.09
η	0.0012037	Pa×s	430.63	Calculated Property
η	0.0007850	Pa×s	461.68	Calculated Property
η	0.0005402	Pa×s	492.73	Calculated Property
η	0.0003886	Pa×s	523.78	Calculated Property
η	0.0002900	Pa×s	554.83	Calculated Property
η	0.0002233	Pa×s	585.89	Calculated Property
η	0.0001765	Pa×s	616.94	Calculated Property
η	0.0001427	Pa×s	647.99	Calculated Property
η	0.0001176	Pa×s	679.04	Calculated Property
η	0.0000986	Pa×s	710.09	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl 2-methylcyclohexyl ester.

Sources

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

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