Chemical Properties of chlorbenzilate, TFA

InChI

InChI=1S/C18H13Cl2F3O4/c1-2-26-15(24)17(27-16(25)18(21,22)23,11-3-7-13(19)8-4-11)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3

InChI Key

SXNWERJLQQIYBL-UHFFFAOYSA-N

Formula

C18H13Cl2F3O4

SMILES

CCOC(=O)C(OC(=O)C(F)(F)F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

421.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-764.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1091.64	kJ/mol	Joback Calculated Property
ΔfusH°	38.06	kJ/mol	Joback Calculated Property
ΔvapH°	83.58	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	4.906		Crippen Calculated Property
McVol	261.630	ml/mol	McGowan Calculated Property
Pc	1746.28	kPa	Joback Calculated Property
Inp	[2011.00; 2020.00]
Inp	2020.00		NIST
Inp	2011.00		NIST
Inp	2020.00		NIST
Inp	2011.00		NIST
Tboil	893.35	K	Joback Calculated Property
Tc	1124.44	K	Joback Calculated Property
Tfus	581.27	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.09; 782.00]	J/mol×K	[893.35; 1124.44]
Cp,gas	735.09	J/mol×K	893.35	Joback Calculated Property
Cp,gas	745.17	J/mol×K	931.86	Joback Calculated Property
Cp,gas	754.23	J/mol×K	970.38	Joback Calculated Property
Cp,gas	762.36	J/mol×K	1008.89	Joback Calculated Property
Cp,gas	769.64	J/mol×K	1047.41	Joback Calculated Property
Cp,gas	776.15	J/mol×K	1085.92	Joback Calculated Property
Cp,gas	782.00	J/mol×K	1124.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to chlorbenzilate, TFA.

Sources

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

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