Chemical Properties of Phthalic acid, 6-methylhept-2-yl octadecyl ester

InChI

InChI=1S/C34H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-37-33(35)31-26-20-21-27-32(31)34(36)38-30(4)25-23-24-29(2)3/h20-21,26-27,29-30H,5-19,22-25,28H2,1-4H3

InChI Key

BGIHRDUVCMHKKB-UHFFFAOYSA-N

Formula

C34H58O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)CCCC(C)C

Molecular Weight¹

530.83

• 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	[704.09; 1669.15]	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			-1.70000e-01
Coefficient B			2.99768e+00
Coefficient C			-1.60716e-03
Coefficient D			2.78800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	704.09	J/mol×K	273.00	Calculated Property
Cp,gas	871.54	J/mol×K	353.78	Calculated Property
Cp,gas	1021.87	J/mol×K	434.56	Calculated Property
Cp,gas	1155.98	J/mol×K	515.33	Calculated Property
Cp,gas	1274.74	J/mol×K	596.11	Calculated Property
Cp,gas	1379.03	J/mol×K	676.89	Calculated Property
Cp,gas	1469.73	J/mol×K	757.67	Calculated Property
Cp,gas	1547.73	J/mol×K	838.44	Calculated Property
Cp,gas	1613.91	J/mol×K	919.22	Calculated Property
Cp,gas	1669.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001753; 0.0000066]	Pa×s	[566.54; 988.40]	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			-1.63256e+01
Coefficient B			4.34912e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			566.54
Temperature range, max.			988.40
η	0.0001753	Pa×s	566.54	Calculated Property
η	0.0000975	Pa×s	613.41	Calculated Property
η	0.0000589	Pa×s	660.29	Calculated Property
η	0.0000381	Pa×s	707.16	Calculated Property
η	0.0000260	Pa×s	754.03	Calculated Property
η	0.0000185	Pa×s	800.91	Calculated Property
η	0.0000137	Pa×s	847.78	Calculated Property
η	0.0000105	Pa×s	894.65	Calculated Property
η	0.0000082	Pa×s	941.53	Calculated Property
η	0.0000066	Pa×s	988.40	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 6-methylhept-2-yl octadecyl ester.

Sources

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

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