Chemical Properties of Benzamide, 3-chloro-2-fluoro-N-(2-ethylhexyl)-

InChI

InChI=1S/C15H21ClFNO/c1-3-5-7-11(4-2)10-18-15(19)12-8-6-9-13(16)14(12)17/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,18,19)

InChI Key

YIFIBILUMYFSNR-UHFFFAOYSA-N

Formula

C15H21ClFNO

SMILES

CCCCC(CC)CNC(=O)c1cccc(Cl)c1F

Molecular Weight¹

285.79

• 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°	-80.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.58	kJ/mol	Joback Calculated Property
ΔfusH°	38.32	kJ/mol	Joback Calculated Property
ΔvapH°	68.95	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.425		Crippen Calculated Property
McVol	224.010	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2081.00; 2081.00]
Inp	2081.00		NIST
Inp	2081.00		NIST
Tboil	719.54	K	Joback Calculated Property
Tc	920.23	K	Joback Calculated Property
Tfus	428.37	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.41; 687.68]	J/mol×K	[719.54; 920.23]
Cp,gas	611.41	J/mol×K	719.54	Joback Calculated Property
Cp,gas	626.24	J/mol×K	752.99	Joback Calculated Property
Cp,gas	640.18	J/mol×K	786.44	Joback Calculated Property
Cp,gas	653.26	J/mol×K	819.89	Joback Calculated Property
Cp,gas	665.51	J/mol×K	853.33	Joback Calculated Property
Cp,gas	676.97	J/mol×K	886.78	Joback Calculated Property
Cp,gas	687.68	J/mol×K	920.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-(2-ethylhexyl)-.

Sources

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

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