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

InChI

InChI=1S/C10H10ClFO2/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h3-5H,2,6H2,1H3

InChI Key

LNXJUYUBVHDCPS-UHFFFAOYSA-N

Formula

C10H10ClFO2

SMILES

CCCOC(=O)c1cccc(Cl)c1F

Molecular Weight¹

216.64

• 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°	-314.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.79	kJ/mol	Joback Calculated Property
ΔfusH°	24.98	kJ/mol	Joback Calculated Property
ΔvapH°	54.18	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	3.046		Crippen Calculated Property
McVol	149.450	ml/mol	McGowan Calculated Property
Pc	2732.56	kPa	Joback Calculated Property
Inp	[1479.00; 1479.00]
Inp	1479.00		NIST
Inp	1479.00		NIST
Tboil	577.83	K	Joback Calculated Property
Tc	786.58	K	Joback Calculated Property
Tfus	356.59	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.46; 393.77]	J/mol×K	[577.83; 786.58]
Cp,gas	333.46	J/mol×K	577.83	Joback Calculated Property
Cp,gas	345.07	J/mol×K	612.62	Joback Calculated Property
Cp,gas	356.04	J/mol×K	647.41	Joback Calculated Property
Cp,gas	366.39	J/mol×K	682.21	Joback Calculated Property
Cp,gas	376.12	J/mol×K	717.00	Joback Calculated Property
Cp,gas	385.24	J/mol×K	751.79	Joback Calculated Property
Cp,gas	393.77	J/mol×K	786.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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