Chemical Properties of 4-Fluorobenzoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C13H6Cl3FO2/c14-9-5-11(16)12(6-10(9)15)19-13(18)7-1-3-8(17)4-2-7/h1-6H

InChI Key

YYMLIQDZNWPDPO-UHFFFAOYSA-N

Formula

C13H6Cl3FO2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1

Molecular Weight¹

319.54

• 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°	-219.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-372.60	kJ/mol	Joback Calculated Property
ΔfusH°	34.41	kJ/mol	Joback Calculated Property
ΔvapH°	73.23	kJ/mol	Joback Calculated Property
log10WS	-5.95		Crippen Calculated Property
logPoct/wat	5.005		Crippen Calculated Property
McVol	192.440	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[2167.00; 2167.00]
Inp	2167.00		NIST
Inp	2167.00		NIST
Tboil	757.97	K	Joback Calculated Property
Tc	1004.92	K	Joback Calculated Property
Tfus	501.70	K	Joback Calculated Property
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.57; 480.80]	J/mol×K	[757.97; 1004.92]
Cp,gas	435.57	J/mol×K	757.97	Joback Calculated Property
Cp,gas	445.33	J/mol×K	799.13	Joback Calculated Property
Cp,gas	454.17	J/mol×K	840.29	Joback Calculated Property
Cp,gas	462.11	J/mol×K	881.45	Joback Calculated Property
Cp,gas	469.18	J/mol×K	922.61	Joback Calculated Property
Cp,gas	475.40	J/mol×K	963.76	Joback Calculated Property
Cp,gas	480.80	J/mol×K	1004.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic 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.