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

InChI

InChI=1S/C15H12ClFO2/c1-9-5-3-8-13(10(9)2)19-15(18)11-6-4-7-12(16)14(11)17/h3-8H,1-2H3

InChI Key

MPJZEJHACGEOEH-UHFFFAOYSA-N

Formula

C15H12ClFO2

SMILES

Cc1cccc(OC(=O)c2cccc(Cl)c2F)c1C

Molecular Weight¹

278.71

• 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°	-178.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-382.40	kJ/mol	Joback Calculated Property
ΔfusH°	31.20	kJ/mol	Joback Calculated Property
ΔvapH°	68.91	kJ/mol	Joback Calculated Property
log10WS	-5.53		Crippen Calculated Property
logPoct/wat	4.315		Crippen Calculated Property
McVol	196.140	ml/mol	McGowan Calculated Property
Pc	2284.95	kPa	Joback Calculated Property
Inp	[2117.00; 2117.00]
Inp	2117.00		NIST
Inp	2117.00		NIST
Tboil	728.87	K	Joback Calculated Property
Tc	961.82	K	Joback Calculated Property
Tfus	464.40	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.22; 559.48]	J/mol×K	[728.87; 961.82]
Cp,gas	495.22	J/mol×K	728.87	Joback Calculated Property
Cp,gas	508.36	J/mol×K	767.69	Joback Calculated Property
Cp,gas	520.50	J/mol×K	806.52	Joback Calculated Property
Cp,gas	531.66	J/mol×K	845.34	Joback Calculated Property
Cp,gas	541.85	J/mol×K	884.17	Joback Calculated Property
Cp,gas	551.12	J/mol×K	922.99	Joback Calculated Property
Cp,gas	559.48	J/mol×K	961.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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