Chemical Properties of Phthalic acid, 2,3-dimethylphenyl hexyl ester

InChI

InChI=1S/C22H26O4/c1-4-5-6-9-15-25-21(23)18-12-7-8-13-19(18)22(24)26-20-14-10-11-16(2)17(20)3/h7-8,10-14H,4-6,9,15H2,1-3H3

InChI Key

WTJKEQFITWUUBS-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)Oc1cccc(C)c1C

Molecular Weight¹

354.45

• 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	[398.00; 924.38]	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			8.79500e+00
Coefficient B			1.64796e+00
Coefficient C			-8.45080e-04
Coefficient D			1.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.00	J/mol×K	273.00	Calculated Property
Cp,gas	491.03	J/mol×K	353.78	Calculated Property
Cp,gas	574.59	J/mol×K	434.56	Calculated Property
Cp,gas	649.04	J/mol×K	515.33	Calculated Property
Cp,gas	714.74	J/mol×K	596.11	Calculated Property
Cp,gas	772.04	J/mol×K	676.89	Calculated Property
Cp,gas	821.29	J/mol×K	757.67	Calculated Property
Cp,gas	862.86	J/mol×K	838.44	Calculated Property
Cp,gas	897.11	J/mol×K	919.22	Calculated Property
Cp,gas	924.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004207; 0.0000554]	Pa×s	[512.76; 774.55]	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			-1.37694e+01
Coefficient B			3.07446e+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.			512.76
Temperature range, max.			774.55
η	0.0004207	Pa×s	512.76	Calculated Property
η	0.0003049	Pa×s	541.85	Calculated Property
η	0.0002284	Pa×s	570.94	Calculated Property
η	0.0001759	Pa×s	600.02	Calculated Property
η	0.0001388	Pa×s	629.11	Calculated Property
η	0.0001118	Pa×s	658.20	Calculated Property
η	0.0000918	Pa×s	687.29	Calculated Property
η	0.0000765	Pa×s	716.37	Calculated Property
η	0.0000647	Pa×s	745.46	Calculated Property
η	0.0000554	Pa×s	774.55	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,3-dimethylphenyl hexyl ester.

Sources

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

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