Chemical Properties of Isophthalic acid, hexyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C20H19Cl3O4/c1-2-3-4-5-9-26-19(24)13-7-6-8-14(10-13)20(25)27-17-12-15(21)11-16(22)18(17)23/h6-8,10-12H,2-5,9H2,1H3

InChI Key

RPLPAPLQJHADGI-UHFFFAOYSA-N

Formula

C20H19Cl3O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)Oc2cc(Cl)cc(Cl)c2Cl)c1

Molecular Weight¹

429.73

• 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	1.0040		Relay (1.0) Calculated Property
ΔfusH°	55.41	kJ/mol	Joback Calculated Property
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	6.603		Crippen Calculated Property
McVol	296.740	ml/mol	McGowan Calculated Property
Pc	1438.07	kPa	Joback Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	681.31	K	Relay (1.0) Calculated Property
Tc	962.87	K	Relay (1.0) Calculated Property
Tfus	321.61	K	Relay (1.0) Calculated Property
Vc	1.077	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	[832.78; 871.11]	J/mol×K	[959.21; 1192.39]
Cp,gas	832.78	J/mol×K	959.21	Joback Calculated Property
Cp,gas	842.52	J/mol×K	998.07	Joback Calculated Property
Cp,gas	850.88	J/mol×K	1036.94	Joback Calculated Property
Cp,gas	857.88	J/mol×K	1075.80	Joback Calculated Property
Cp,gas	863.57	J/mol×K	1114.67	Joback Calculated Property
Cp,gas	867.97	J/mol×K	1153.53	Joback Calculated Property
Cp,gas	871.11	J/mol×K	1192.39	Joback Calculated Property
η	[0.0000282; 0.0002449]	Pa×s	[592.50; 959.21]
η	0.0002449	Pa×s	592.50	Joback Calculated Property
η	0.0001443	Pa×s	653.62	Joback Calculated Property
η	0.0000931	Pa×s	714.74	Joback Calculated Property
η	0.0000644	Pa×s	775.86	Joback Calculated Property
η	0.0000470	Pa×s	836.97	Joback Calculated Property
η	0.0000358	Pa×s	898.09	Joback Calculated Property
η	0.0000282	Pa×s	959.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 2,3,5-trichlorophenyl ester.

Sources

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

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