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

InChI

InChI=1S/C14H10ClFINO/c1-8-5-6-12(11(17)7-8)18-14(19)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,18,19)

InChI Key

MRNYCFRHNSLKSQ-UHFFFAOYSA-N

Formula

C14H10ClFINO

SMILES

Cc1ccc(NC(=O)c2cccc(Cl)c2F)c(I)c1

Molecular Weight¹

389.59

• 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	0.6514		Relay (1.0) Calculated Property
ΔfG°	65.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.92	kJ/mol	Joback Calculated Property
ΔvapH°	102.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	4.644		Crippen Calculated Property
McVol	211.980	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	648.78	K	Relay (1.0) Calculated Property
Tc	977.20	K	Relay (1.0) Calculated Property
Tfus	436.12	K	Relay (1.0) Calculated Property
Vc	0.718	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[506.47; 556.47]	J/mol×K	[826.88; 1087.43]
Cp,gas	506.47	J/mol×K	826.88	Joback Calculated Property
Cp,gas	516.94	J/mol×K	870.30	Joback Calculated Property
Cp,gas	526.45	J/mol×K	913.73	Joback Calculated Property
Cp,gas	535.08	J/mol×K	957.15	Joback Calculated Property
Cp,gas	542.91	J/mol×K	1000.58	Joback Calculated Property
Cp,gas	550.01	J/mol×K	1044.00	Joback Calculated Property
Cp,gas	556.47	J/mol×K	1087.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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