Chemical Properties of 2-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C13H5BrCl4O2/c14-7-4-2-1-3-6(7)13(19)20-12-9(16)5-8(15)10(17)11(12)18/h1-5H

InChI Key

GIJROKHYRHDZQH-UHFFFAOYSA-N

Formula

C13H5BrCl4O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccccc1Br

Molecular Weight¹

414.89

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Property	Value	Unit	Source
ΔfG°	-32.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.37	kJ/mol	Joback Calculated Property
ΔfusH°	40.42	kJ/mol	Joback Calculated Property
ΔvapH°	85.52	kJ/mol	Joback Calculated Property
log10WS	-7.46		Crippen Calculated Property
logPoct/wat	6.282		Crippen Calculated Property
McVol	220.410	ml/mol	McGowan Calculated Property
Pc	2735.42	kPa	Joback Calculated Property
Inp	[2694.00; 2694.00]
Inp	2694.00		NIST
Inp	2694.00		NIST
Tboil	867.27	K	Joback Calculated Property
Tc	1136.20	K	Joback Calculated Property
Tfus	603.35	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.89; 499.98]	J/mol×K	[867.27; 1136.20]
Cp,gas	467.89	J/mol×K	867.27	Joback Calculated Property
Cp,gas	475.36	J/mol×K	912.09	Joback Calculated Property
Cp,gas	481.93	J/mol×K	956.91	Joback Calculated Property
Cp,gas	487.64	J/mol×K	1001.74	Joback Calculated Property
Cp,gas	492.52	J/mol×K	1046.56	Joback Calculated Property
Cp,gas	496.62	J/mol×K	1091.38	Joback Calculated Property
Cp,gas	499.98	J/mol×K	1136.20	Joback Calculated Property
η	[0.0000975; 0.0003773]	Pa×s	[603.35; 867.27]
η	0.0003773	Pa×s	603.35	Joback Calculated Property
η	0.0002789	Pa×s	647.34	Joback Calculated Property
η	0.0002142	Pa×s	691.32	Joback Calculated Property
η	0.0001698	Pa×s	735.31	Joback Calculated Property
η	0.0001382	Pa×s	779.30	Joback Calculated Property
η	0.0001150	Pa×s	823.28	Joback Calculated Property
η	0.0000975	Pa×s	867.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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