Chemical Properties of Isophthalic acid, butyl 3,5-dichlorophenyl ester

InChI

InChI=1S/C18H16Cl2O4/c1-2-3-7-23-17(21)12-5-4-6-13(8-12)18(22)24-16-10-14(19)9-15(20)11-16/h4-6,8-11H,2-3,7H2,1H3

InChI Key

QEJJVMUTXDSBSH-UHFFFAOYSA-N

Formula

C18H16Cl2O4

SMILES

CCCCOC(=O)c1cccc(C(=O)Oc2cc(Cl)cc(Cl)c2)c1

Molecular Weight¹

367.22

• 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	[339.95; 734.55]	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			3.82130e+01
Coefficient B			1.28152e+00
Coefficient C			-6.68280e-04
Coefficient D			8.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.95	J/mol×K	273.00	Calculated Property
Cp,gas	411.62	J/mol×K	353.78	Calculated Property
Cp,gas	475.73	J/mol×K	434.56	Calculated Property
Cp,gas	532.52	J/mol×K	515.33	Calculated Property
Cp,gas	582.27	J/mol×K	596.11	Calculated Property
Cp,gas	625.24	J/mol×K	676.89	Calculated Property
Cp,gas	661.69	J/mol×K	757.67	Calculated Property
Cp,gas	691.88	J/mol×K	838.44	Calculated Property
Cp,gas	716.08	J/mol×K	919.22	Calculated Property
Cp,gas	734.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004255; 0.0000684]	Pa×s	[527.52; 772.41]	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			-1.35260e+01
Coefficient B			3.04046e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			527.52
Temperature range, max.			772.41
η	0.0004255	Pa×s	527.52	Calculated Property
η	0.0003207	Pa×s	554.73	Calculated Property
η	0.0002482	Pa×s	581.94	Calculated Property
η	0.0001965	Pa×s	609.15	Calculated Property
η	0.0001588	Pa×s	636.36	Calculated Property
η	0.0001305	Pa×s	663.57	Calculated Property
η	0.0001090	Pa×s	690.78	Calculated Property
η	0.0000922	Pa×s	717.99	Calculated Property
η	0.0000790	Pa×s	745.20	Calculated Property
η	0.0000684	Pa×s	772.41	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl 3,5-dichlorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.