Chemical Properties of 3-Chloro-2-fluorobenzoic acid, tridecyl ester

InChI

InChI=1S/C20H30ClFO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-20(23)17-14-13-15-18(21)19(17)22/h13-15H,2-12,16H2,1H3

InChI Key

LPBHSXJAFYJXGC-UHFFFAOYSA-N

Formula

C20H30ClFO2

SMILES

CCCCCCCCCCCCCOC(=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°	-229.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.19	kJ/mol	Joback Calculated Property
ΔfusH°	50.88	kJ/mol	Joback Calculated Property
ΔvapH°	76.44	kJ/mol	Joback Calculated Property
log10WS	-7.75		Crippen Calculated Property
logPoct/wat	6.947		Crippen Calculated Property
McVol	290.350	ml/mol	McGowan Calculated Property
Pc	1211.51	kPa	Joback Calculated Property
Inp	[2518.00; 2518.00]
Inp	2518.00		NIST
Inp	2518.00		NIST
Tboil	806.63	K	Joback Calculated Property
Tc	999.22	K	Joback Calculated Property
Tfus	469.29	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.12; 949.12]	J/mol×K	[806.63; 999.22]
Cp,gas	864.12	J/mol×K	806.63	Joback Calculated Property
Cp,gas	880.68	J/mol×K	838.73	Joback Calculated Property
Cp,gas	896.23	J/mol×K	870.83	Joback Calculated Property
Cp,gas	910.83	J/mol×K	902.92	Joback Calculated Property
Cp,gas	924.49	J/mol×K	935.02	Joback Calculated Property
Cp,gas	937.24	J/mol×K	967.12	Joback Calculated Property
Cp,gas	949.12	J/mol×K	999.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, tridecyl ester.

Sources

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

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