Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C14H7Cl2F3O3/c1-21-13-11(18)7(5-10(17)12(13)19)14(20)22-6-2-3-8(15)9(16)4-6/h2-5H,1H3

InChI Key

QMWUERZZEODEIV-UHFFFAOYSA-N

Formula

C14H7Cl2F3O3

SMILES

COc1c(F)c(F)cc(C(=O)Oc2ccc(Cl)c(Cl)c2)c1F

Molecular Weight¹

351.11

• 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°	-713.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.88	kJ/mol	Joback Calculated Property
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
ΔvapH°	73.17	kJ/mol	Joback Calculated Property
log10WS	-6.04		Crippen Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	203.700	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	774.34	K	Joback Calculated Property
Tc	994.45	K	Joback Calculated Property
Tfus	531.50	K	Joback Calculated Property
Vc	0.797	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.43; 549.30]	J/mol×K	[774.34; 994.45]
Cp,gas	502.43	J/mol×K	774.34	Joback Calculated Property
Cp,gas	512.37	J/mol×K	811.02	Joback Calculated Property
Cp,gas	521.47	J/mol×K	847.71	Joback Calculated Property
Cp,gas	529.72	J/mol×K	884.39	Joback Calculated Property
Cp,gas	537.11	J/mol×K	921.08	Joback Calculated Property
Cp,gas	543.64	J/mol×K	957.76	Joback Calculated Property
Cp,gas	549.30	J/mol×K	994.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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