Chemical Properties of 3-Chloro-2-fluorobenzamide, N-(4-methoxyphenyl)-

InChI

InChI=1S/C14H11ClFNO2/c1-19-10-7-5-9(6-8-10)17-14(18)11-3-2-4-12(15)13(11)16/h2-8H,1H3,(H,17,18)

InChI Key

VDLAKXHPYNDGGY-UHFFFAOYSA-N

Formula

C14H11ClFNO2

SMILES

COc1ccc(NC(=O)c2cccc(Cl)c2F)cc1

Molecular Weight¹

279.69

• 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°	-88.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-296.82	kJ/mol	Joback Calculated Property
ΔfusH°	34.09	kJ/mol	Joback Calculated Property
ΔvapH°	72.46	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	3.740		Crippen Calculated Property
McVol	192.030	ml/mol	McGowan Calculated Property
Pc	2581.96	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	751.18	K	Joback Calculated Property
Tc	985.49	K	Joback Calculated Property
Tfus	493.27	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.26; 552.65]	J/mol×K	[751.18; 985.49]
Cp,gas	494.26	J/mol×K	751.18	Joback Calculated Property
Cp,gas	506.43	J/mol×K	790.23	Joback Calculated Property
Cp,gas	517.58	J/mol×K	829.28	Joback Calculated Property
Cp,gas	527.74	J/mol×K	868.34	Joback Calculated Property
Cp,gas	536.96	J/mol×K	907.39	Joback Calculated Property
Cp,gas	545.25	J/mol×K	946.44	Joback Calculated Property
Cp,gas	552.65	J/mol×K	985.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-(4-methoxyphenyl)-.

Sources

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

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