Chemical Properties of 3-Chloro2-fluorobenzoic acid, 4-tridecyl ester

InChI

InChI=1S/C20H30ClFO2/c1-3-5-6-7-8-9-10-13-16(12-4-2)24-20(23)17-14-11-15-18(21)19(17)22/h11,14-16H,3-10,12-13H2,1-2H3

InChI Key

ZFVRGZWETCIWAG-UHFFFAOYSA-N

Formula

C20H30ClFO2

SMILES

CCCCCCCCCC(CCC)OC(=O)c1cccc(Cl)c1F

Molecular Weight¹

356.90

• 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°	-232.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-704.47	kJ/mol	Joback Calculated Property
ΔfusH°	47.36	kJ/mol	Joback Calculated Property
ΔvapH°	76.05	kJ/mol	Joback Calculated Property
log10WS	-7.87		Crippen Calculated Property
logPoct/wat	6.945		Crippen Calculated Property
McVol	290.350	ml/mol	McGowan Calculated Property
Pc	1218.29	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	806.19	K	Joback Calculated Property
Tc	1000.51	K	Joback Calculated Property
Tfus	454.29	K	Joback Calculated Property
Vc	1.133	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.64; 950.12]	J/mol×K	[806.19; 1000.51]
Cp,gas	864.64	J/mol×K	806.19	Joback Calculated Property
Cp,gas	881.34	J/mol×K	838.58	Joback Calculated Property
Cp,gas	897.01	J/mol×K	870.96	Joback Calculated Property
Cp,gas	911.70	J/mol×K	903.35	Joback Calculated Property
Cp,gas	925.42	J/mol×K	935.73	Joback Calculated Property
Cp,gas	938.22	J/mol×K	968.12	Joback Calculated Property
Cp,gas	950.12	J/mol×K	1000.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro2-fluorobenzoic acid, 4-tridecyl ester.

Sources

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

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