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

InChI

InChI=1S/C17H13Cl3O4/c1-2-6-23-16(21)10-4-3-5-11(7-10)17(22)24-14-9-12(18)8-13(19)15(14)20/h3-5,7-9H,2,6H2,1H3

InChI Key

MZJAONDRHYRYLM-UHFFFAOYSA-N

Formula

C17H13Cl3O4

SMILES

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

Molecular Weight¹

387.64

• 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	0.8741		Relay (1.0) Calculated Property
ΔfusH°	44.48	kJ/mol	Joback Calculated Property
log10WS	-6.78		Relay (1.0) Calculated Property
logPoct/wat	5.433		Crippen Calculated Property
McVol	254.470	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[2761.00; 2761.00]
Inp	2761.00		NIST
Inp	2761.00		NIST
Tboil	663.10	K	Relay (1.0) Calculated Property
Tc	939.67	K	Relay (1.0) Calculated Property
Tfus	337.72	K	Relay (1.0) Calculated Property
Vc	0.919	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	[670.85; 709.08]	J/mol×K	[926.51; 1168.45]
Cp,gas	670.85	J/mol×K	926.51	Joback Calculated Property
Cp,gas	680.22	J/mol×K	966.83	Joback Calculated Property
Cp,gas	688.37	J/mol×K	1007.16	Joback Calculated Property
Cp,gas	695.31	J/mol×K	1047.48	Joback Calculated Property
Cp,gas	701.07	J/mol×K	1087.81	Joback Calculated Property
Cp,gas	705.65	J/mol×K	1128.13	Joback Calculated Property
Cp,gas	709.08	J/mol×K	1168.45	Joback Calculated Property
η	[0.0000583; 0.0002965]	Pa×s	[618.35; 926.51]
η	0.0002965	Pa×s	618.35	Joback Calculated Property
η	0.0002038	Pa×s	669.71	Joback Calculated Property
η	0.0001478	Pa×s	721.07	Joback Calculated Property
η	0.0001118	Pa×s	772.43	Joback Calculated Property
η	0.0000876	Pa×s	823.79	Joback Calculated Property
η	0.0000706	Pa×s	875.15	Joback Calculated Property
η	0.0000583	Pa×s	926.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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