Chemical Properties of Isophthalic acid, isohexyl pentachlorophenyl ester

InChI

InChI=1S/C20H17Cl5O4/c1-10(2)5-4-8-28-19(26)11-6-3-7-12(9-11)20(27)29-18-16(24)14(22)13(21)15(23)17(18)25/h3,6-7,9-10H,4-5,8H2,1-2H3

InChI Key

VNSVEQGJUAHDPB-UHFFFAOYSA-N

Formula

C20H17Cl5O4

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1

Molecular Weight¹

498.61

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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

Property	Value	Unit	Source
ω	1.0294		Relay (1.0) Calculated Property
ΔfusH°	59.50	kJ/mol	Joback Calculated Property
log10WS	-8.98		Relay (1.0) Calculated Property
logPoct/wat	7.766		Crippen Calculated Property
McVol	321.220	ml/mol	McGowan Calculated Property
Pc	1338.82	kPa	Joback Calculated Property
Inp	[3380.00; 3380.00]
Inp	3380.00		NIST
Inp	3380.00		NIST
Tboil	708.59	K	Relay (1.0) Calculated Property
Tc	1013.36	K	Relay (1.0) Calculated Property
Tfus	388.53	K	Relay (1.0) Calculated Property
Vc	1.153	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.45; 879.55]	J/mol×K	[1043.59; 1289.13]
Cp,gas	862.45	J/mol×K	1043.59	Joback Calculated Property
Cp,gas	868.83	J/mol×K	1084.51	Joback Calculated Property
Cp,gas	873.71	J/mol×K	1125.44	Joback Calculated Property
Cp,gas	877.11	J/mol×K	1166.36	Joback Calculated Property
Cp,gas	879.05	J/mol×K	1207.28	Joback Calculated Property
Cp,gas	879.55	J/mol×K	1248.21	Joback Calculated Property
Cp,gas	878.65	J/mol×K	1289.13	Joback Calculated Property
η	[0.0000189; 0.0001396]	Pa×s	[662.38; 1043.59]
η	0.0001396	Pa×s	662.38	Joback Calculated Property
η	0.0000864	Pa×s	725.91	Joback Calculated Property
η	0.0000578	Pa×s	789.45	Joback Calculated Property
η	0.0000411	Pa×s	852.98	Joback Calculated Property
η	0.0000306	Pa×s	916.52	Joback Calculated Property
η	0.0000237	Pa×s	980.05	Joback Calculated Property
η	0.0000189	Pa×s	1043.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isohexyl pentachlorophenyl ester.

Sources

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

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