Chemical Properties of Phthalic acid, 2,5-dichlorophenyl pentyl ester

InChI

InChI=1S/C19H18Cl2O4/c1-2-3-6-11-24-18(22)14-7-4-5-8-15(14)19(23)25-17-12-13(20)9-10-16(17)21/h4-5,7-10,12H,2-3,6,11H2,1H3

InChI Key

LNLLOKMOTKBCBD-UHFFFAOYSA-N

Formula

C19H18Cl2O4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

381.25

• 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	[361.17; 786.14]	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			3.73040e+01
Coefficient B			1.37652e+00
Coefficient C			-7.22680e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.17	J/mol×K	273.00	Calculated Property
Cp,gas	438.04	J/mol×K	353.78	Calculated Property
Cp,gas	506.80	J/mol×K	434.56	Calculated Property
Cp,gas	567.75	J/mol×K	515.33	Calculated Property
Cp,gas	621.18	J/mol×K	596.11	Calculated Property
Cp,gas	667.40	J/mol×K	676.89	Calculated Property
Cp,gas	706.71	J/mol×K	757.67	Calculated Property
Cp,gas	739.40	J/mol×K	838.44	Calculated Property
Cp,gas	765.78	J/mol×K	919.22	Calculated Property
Cp,gas	786.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003822; 0.0000611]	Pa×s	[538.79; 786.82]	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			-1.36875e+01
Coefficient B			3.13462e+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.			538.79
Temperature range, max.			786.82
η	0.0003822	Pa×s	538.79	Calculated Property
η	0.0002879	Pa×s	566.35	Calculated Property
η	0.0002227	Pa×s	593.91	Calculated Property
η	0.0001762	Pa×s	621.47	Calculated Property
η	0.0001423	Pa×s	649.02	Calculated Property
η	0.0001169	Pa×s	676.58	Calculated Property
η	0.0000975	Pa×s	704.14	Calculated Property
η	0.0000824	Pa×s	731.70	Calculated Property
η	0.0000706	Pa×s	759.26	Calculated Property
η	0.0000611	Pa×s	786.82	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-dichlorophenyl pentyl ester.

Sources

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

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