Chemical Properties of Isophthalic acid, heptadecyl 3-methylpentyl-2 ester

InChI

InChI=1S/C31H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-30(32)28-22-21-23-29(25-28)31(33)35-27(4)26(3)6-2/h21-23,25-27H,5-20,24H2,1-4H3

InChI Key

YHMYHRUHBKTLMM-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)C(C)CC)c1

Molecular Weight¹

488.74

Other Names

• Isophthalic acid, heptadecyl 3-methylbut-2-yl ester

• 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	[640.45; 1514.38]	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			2.55700e+00
Coefficient B			2.71268e+00
Coefficient C			-1.44396e-03
Coefficient D			2.43100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	640.45	J/mol×K	273.00	Calculated Property
Cp,gas	792.28	J/mol×K	353.78	Calculated Property
Cp,gas	928.64	J/mol×K	434.56	Calculated Property
Cp,gas	1050.29	J/mol×K	515.33	Calculated Property
Cp,gas	1158.00	J/mol×K	596.11	Calculated Property
Cp,gas	1252.54	J/mol×K	676.89	Calculated Property
Cp,gas	1334.68	J/mol×K	757.67	Calculated Property
Cp,gas	1405.19	J/mol×K	838.44	Calculated Property
Cp,gas	1464.83	J/mol×K	919.22	Calculated Property
Cp,gas	1514.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002809; 0.0000117]	Pa×s	[532.73; 913.27]	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			-1.58111e+01
Coefficient B			4.06664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			532.73
Temperature range, max.			913.27
η	0.0002809	Pa×s	532.73	Calculated Property
η	0.0001602	Pa×s	575.01	Calculated Property
η	0.0000987	Pa×s	617.29	Calculated Property
η	0.0000647	Pa×s	659.58	Calculated Property
η	0.0000446	Pa×s	701.86	Calculated Property
η	0.0000321	Pa×s	744.14	Calculated Property
η	0.0000239	Pa×s	786.42	Calculated Property
η	0.0000184	Pa×s	828.70	Calculated Property
η	0.0000145	Pa×s	870.98	Calculated Property
η	0.0000117	Pa×s	913.27	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, heptadecyl 3-methylpentyl-2 ester.

Sources

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

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