Chemical Properties of Phthalic acid, 2,4-dichlorobenzyl pentadecyl ester

InChI

InChI=1S/C30H40Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)26-17-14-15-18-27(26)30(34)36-23-24-19-20-25(31)22-28(24)32/h14-15,17-20,22H,2-13,16,21,23H2,1H3

InChI Key

OQJCEWMAXFVYIG-UHFFFAOYSA-N

Formula

C30H40Cl2O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

535.54

• 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	[594.52; 1353.65]	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			2.73050e+01
Coefficient B			2.42152e+00
Coefficient C			-1.32108e-03
Coefficient D			2.25900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	594.52	J/mol×K	273.00	Calculated Property
Cp,gas	728.64	J/mol×K	353.78	Calculated Property
Cp,gas	848.66	J/mol×K	434.56	Calculated Property
Cp,gas	955.27	J/mol×K	515.33	Calculated Property
Cp,gas	1049.21	J/mol×K	596.11	Calculated Property
Cp,gas	1131.17	J/mol×K	676.89	Calculated Property
Cp,gas	1201.89	J/mol×K	757.67	Calculated Property
Cp,gas	1262.06	J/mol×K	838.44	Calculated Property
Cp,gas	1312.41	J/mol×K	919.22	Calculated Property
Cp,gas	1353.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000967; 0.0000123]	Pa×s	[662.76; 986.30]	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			-1.55367e+01
Coefficient B			4.17038e+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.			662.76
Temperature range, max.			986.30
η	0.0000967	Pa×s	662.76	Calculated Property
η	0.0000699	Pa×s	698.71	Calculated Property
η	0.0000522	Pa×s	734.66	Calculated Property
η	0.0000401	Pa×s	770.61	Calculated Property
η	0.0000315	Pa×s	806.55	Calculated Property
η	0.0000252	Pa×s	842.50	Calculated Property
η	0.0000206	Pa×s	878.45	Calculated Property
η	0.0000171	Pa×s	914.40	Calculated Property
η	0.0000144	Pa×s	950.35	Calculated Property
η	0.0000123	Pa×s	986.30	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dichlorobenzyl pentadecyl ester.

Sources

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

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