Chemical Properties of 3-Chloro-2-fluorobenzamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C15H13ClFNO3/c1-20-9-6-7-13(21-2)12(8-9)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19)

InChI Key

PJAHDKSWHYITCN-UHFFFAOYSA-N

Formula

C15H13ClFNO3

SMILES

COc1ccc(OC)c(NC(=O)c2cccc(Cl)c2F)c1

Molecular Weight¹

309.72

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7692		Relay (1.0) Calculated Property
ΔfG°	-194.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.48	kJ/mol	Joback Calculated Property
ΔvapH°	104.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	3.749		Crippen Calculated Property
McVol	211.990	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST
Tboil	645.81	K	Relay (1.0) Calculated Property
Tc	943.88	K	Relay (1.0) Calculated Property
Tfus	421.05	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.96; 627.50]	J/mol×K	[801.46; 1029.95]
Cp,gas	570.96	J/mol×K	801.46	Joback Calculated Property
Cp,gas	583.02	J/mol×K	839.54	Joback Calculated Property
Cp,gas	594.02	J/mol×K	877.62	Joback Calculated Property
Cp,gas	603.95	J/mol×K	915.70	Joback Calculated Property
Cp,gas	612.84	J/mol×K	953.79	Joback Calculated Property
Cp,gas	620.69	J/mol×K	991.87	Joback Calculated Property
Cp,gas	627.50	J/mol×K	1029.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-(2,5-dimethoxyphenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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