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

InChI

InChI=1S/C16H14ClFO2/c1-2-6-11-7-3-4-10-14(11)20-16(19)12-8-5-9-13(17)15(12)18/h3-5,7-10H,2,6H2,1H3

InChI Key

ZFJBUZDFPACSNX-UHFFFAOYSA-N

Formula

C16H14ClFO2

SMILES

CCCc1ccccc1OC(=O)c1cccc(Cl)c1F

Molecular Weight¹

292.73

• 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°	-160.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.57	kJ/mol	Joback Calculated Property
ΔfusH°	34.17	kJ/mol	Joback Calculated Property
ΔvapH°	70.47	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	4.651		Crippen Calculated Property
McVol	210.230	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[2093.00; 2093.00]
Inp	2093.00		NIST
Inp	2093.00		NIST
Tboil	746.77	K	Joback Calculated Property
Tc	974.84	K	Joback Calculated Property
Tfus	463.15	K	Joback Calculated Property
Vc	0.806	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.16; 616.16]	J/mol×K	[746.77; 974.84]
Cp,gas	549.16	J/mol×K	746.77	Joback Calculated Property
Cp,gas	562.84	J/mol×K	784.78	Joback Calculated Property
Cp,gas	575.47	J/mol×K	822.79	Joback Calculated Property
Cp,gas	587.09	J/mol×K	860.80	Joback Calculated Property
Cp,gas	597.71	J/mol×K	898.81	Joback Calculated Property
Cp,gas	607.39	J/mol×K	936.83	Joback Calculated Property
Cp,gas	616.16	J/mol×K	974.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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