Chemical Properties of Benzamide, N-(3-nitrophenyl)-2,6-difluoro- (CAS 294852-79-2)

InChI

InChI=1S/C13H8F2N2O3/c14-10-5-2-6-11(15)12(10)13(18)16-8-3-1-4-9(7-8)17(19)20/h1-7H,(H,16,18)

InChI Key

QCVSMYWOKQQNCW-UHFFFAOYSA-N

Formula

C13H8F2N2O3

SMILES

O=[N+]([O-])c1cccc(N=C(O)c2c(F)cccc2F)c1

Molecular Weight¹

278.21

CAS

294852-79-2

• Δ_fH°_gas : Enthalpy of formation 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).
• 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
ΔfH°gas	-334.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	3.509		Crippen Calculated Property
McVol	179.020	ml/mol	McGowan Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST
Tboil	609.18	K	Relay (1.0) Calculated Property
Tfus	442.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to Benzamide, N-(3-nitrophenyl)-2,6-difluoro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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