Chemical Properties of Isophthalic acid, butyl pentachlorophenyl ester

InChI

InChI=1S/C18H13Cl5O4/c1-2-3-7-26-17(24)9-5-4-6-10(8-9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h4-6,8H,2-3,7H2,1H3

InChI Key

YHXRPAPWRHPVTM-UHFFFAOYSA-N

Formula

C18H13Cl5O4

SMILES

CCCCOC(=O)c1cccc(C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1

Molecular Weight¹

470.56

• 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	[387.82; 750.24]	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			1.19783e+02
Coefficient B			1.12342e+00
Coefficient C			-5.28360e-04
Coefficient D			3.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.82	J/mol×K	273.00	Calculated Property
Cp,gas	452.66	J/mol×K	353.78	Calculated Property
Cp,gas	511.10	J/mol×K	434.56	Calculated Property
Cp,gas	563.25	J/mol×K	515.33	Calculated Property
Cp,gas	609.21	J/mol×K	596.11	Calculated Property
Cp,gas	649.11	J/mol×K	676.89	Calculated Property
Cp,gas	683.05	J/mol×K	757.67	Calculated Property
Cp,gas	711.14	J/mol×K	838.44	Calculated Property
Cp,gas	733.50	J/mol×K	919.22	Calculated Property
Cp,gas	750.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001691; 0.0000469]	Pa×s	[654.84; 869.79]	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			-1.38781e+01
Coefficient B			3.40064e+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.			654.84
Temperature range, max.			869.79
η	0.0001691	Pa×s	654.84	Calculated Property
η	0.0001409	Pa×s	678.72	Calculated Property
η	0.0001188	Pa×s	702.61	Calculated Property
η	0.0001013	Pa×s	726.49	Calculated Property
η	0.0000873	Pa×s	750.37	Calculated Property
η	0.0000759	Pa×s	774.26	Calculated Property
η	0.0000666	Pa×s	798.14	Calculated Property
η	0.0000588	Pa×s	822.03	Calculated Property
η	0.0000523	Pa×s	845.91	Calculated Property
η	0.0000469	Pa×s	869.79	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl pentachlorophenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.