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_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.32	kJ/mol	Joback Calculated Property
log10WS	-5.43		Relay (1.0) 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	598.16	K	Relay (1.0) Calculated Property
Tfus	305.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.