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

InChI

InChI=1S/C19H28ClFO2/c1-3-5-6-7-8-9-12-15(11-4-2)23-19(22)16-13-10-14-17(20)18(16)21/h10,13-15H,3-9,11-12H2,1-2H3

InChI Key

PDDBZRQFASZFNL-UHFFFAOYSA-N

Formula

C19H28ClFO2

SMILES

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

Molecular Weight¹

342.88

• 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°	-240.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.83	kJ/mol	Joback Calculated Property
ΔfusH°	44.77	kJ/mol	Joback Calculated Property
ΔvapH°	73.82	kJ/mol	Joback Calculated Property
log10WS	-7.45		Crippen Calculated Property
logPoct/wat	6.555		Crippen Calculated Property
McVol	276.260	ml/mol	McGowan Calculated Property
Pc	1304.23	kPa	Joback Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Tboil	783.31	K	Joback Calculated Property
Tc	977.36	K	Joback Calculated Property
Tfus	443.02	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[806.36; 890.62]	J/mol×K	[783.31; 977.36]
Cp,gas	806.36	J/mol×K	783.31	Joback Calculated Property
Cp,gas	822.78	J/mol×K	815.65	Joback Calculated Property
Cp,gas	838.21	J/mol×K	847.99	Joback Calculated Property
Cp,gas	852.68	J/mol×K	880.33	Joback Calculated Property
Cp,gas	866.22	J/mol×K	912.68	Joback Calculated Property
Cp,gas	878.86	J/mol×K	945.02	Joback Calculated Property
Cp,gas	890.62	J/mol×K	977.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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