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

InChI

InChI=1S/C14H6Cl3F3O3/c1-22-13-11(19)5(2-9(18)12(13)20)14(21)23-10-4-7(16)6(15)3-8(10)17/h2-4H,1H3

InChI Key

XJURORRGGKGZNA-UHFFFAOYSA-N

Formula

C14H6Cl3F3O3

SMILES

COc1c(F)c(F)cc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1F

Molecular Weight¹

385.55

• 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°	-734.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.09	kJ/mol	Joback Calculated Property
ΔfusH°	43.18	kJ/mol	Joback Calculated Property
ΔvapH°	78.21	kJ/mol	Joback Calculated Property
log10WS	-6.73		Crippen Calculated Property
logPoct/wat	5.292		Crippen Calculated Property
McVol	215.940	ml/mol	McGowan Calculated Property
Pc	2025.41	kPa	Joback Calculated Property
Inp	[2311.00; 2311.00]
Inp	2311.00		NIST
Inp	2311.00		NIST
Tboil	816.75	K	Joback Calculated Property
Tc	1040.61	K	Joback Calculated Property
Tfus	573.94	K	Joback Calculated Property
Vc	0.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.44; 560.10]	J/mol×K	[816.75; 1040.61]
Cp,gas	520.44	J/mol×K	816.75	Joback Calculated Property
Cp,gas	529.25	J/mol×K	854.06	Joback Calculated Property
Cp,gas	537.20	J/mol×K	891.37	Joback Calculated Property
Cp,gas	544.28	J/mol×K	928.68	Joback Calculated Property
Cp,gas	550.46	J/mol×K	965.99	Joback Calculated Property
Cp,gas	555.74	J/mol×K	1003.30	Joback Calculated Property
Cp,gas	560.10	J/mol×K	1040.61	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.