Chemical Properties of Phthalic acid, octadecyl 2-propylpentyl ester

InChI

InChI=1S/C34H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-37-33(35)31-26-21-22-27-32(31)34(36)38-29-30(24-5-2)25-6-3/h21-22,26-27,30H,4-20,23-25,28-29H2,1-3H3

InChI Key

CWDXYOBIFBTGBI-UHFFFAOYSA-N

Formula

C34H58O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CCC)CCC

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	[704.40; 1668.61]	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			1.51200e+00
Coefficient B			2.99176e+00
Coefficient C			-1.60396e-03
Coefficient D			2.79300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	704.40	J/mol×K	273.00	Calculated Property
Cp,gas	871.55	J/mol×K	353.78	Calculated Property
Cp,gas	1021.63	J/mol×K	434.56	Calculated Property
Cp,gas	1155.53	J/mol×K	515.33	Calculated Property
Cp,gas	1274.13	J/mol×K	596.11	Calculated Property
Cp,gas	1378.32	J/mol×K	676.89	Calculated Property
Cp,gas	1468.98	J/mol×K	757.67	Calculated Property
Cp,gas	1546.99	J/mol×K	838.44	Calculated Property
Cp,gas	1613.24	J/mol×K	919.22	Calculated Property
Cp,gas	1668.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001541; 0.0000072]	Pa×s	[581.54; 991.44]	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			-1.61916e+01
Coefficient B			4.31130e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			581.54
Temperature range, max.			991.44
η	0.0001541	Pa×s	581.54	Calculated Property
η	0.0000899	Pa×s	627.08	Calculated Property
η	0.0000565	Pa×s	672.63	Calculated Property
η	0.0000376	Pa×s	718.17	Calculated Property
η	0.0000263	Pa×s	763.72	Calculated Property
η	0.0000191	Pa×s	809.26	Calculated Property
η	0.0000144	Pa×s	854.81	Calculated Property
η	0.0000112	Pa×s	900.35	Calculated Property
η	0.0000089	Pa×s	945.90	Calculated Property
η	0.0000072	Pa×s	991.44	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, octadecyl 2-propylpentyl ester.

Sources

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

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