Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C10H6Cl3F3O3/c1-18-8-6(15)4(2-5(14)7(8)16)9(17)19-3-10(11,12)13/h2H,3H2,1H3

InChI Key

ZQBRAJZNGINPAK-UHFFFAOYSA-N

Formula

C10H6Cl3F3O3

SMILES

COc1c(F)c(F)cc(C(=O)OCC(Cl)(Cl)Cl)c1F

Molecular Weight¹

337.51

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.6317		Relay (... Calculated Property
ΔfG°	-849.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-949.27	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.53	kJ/mol	Joback Calculated Property
ΔvapH°	76.47	kJ/mol	Relay (... Calculated Property
IE	9.68	eV	Relay (... Calculated Property
log10WS	-5.56		Relay (... Calculated Property
logPoct/wat	3.640		Crippen Calculated Property
McVol	183.340	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1739.00; 1739.00]
Inp	1739.00		NIST
Inp	1739.00		NIST
Tboil	557.75	K	Relay (... Calculated Property
Tc	781.48	K	Relay (... Calculated Property
Tfus	364.13	K	Relay (... Calculated Property
Vc	0.661	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.14; 463.27]	J/mol×K	[680.38; 888.91]
Cp,gas	419.14	J/mol×K	680.38	Joback Calculated Property
Cp,gas	428.03	J/mol×K	715.13	Joback Calculated Property
Cp,gas	436.30	J/mol×K	749.89	Joback Calculated Property
Cp,gas	443.95	J/mol×K	784.64	Joback Calculated Property
Cp,gas	450.99	J/mol×K	819.40	Joback Calculated Property
Cp,gas	457.43	J/mol×K	854.15	Joback Calculated Property
Cp,gas	463.27	J/mol×K	888.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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