Chemical Properties of M-FLUOROBENZAMIDE

InChI

InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

InChI Key

YPIGHNIIXYSPKF-UHFFFAOYSA-N

Formula

C7H6FNO

SMILES

NC(=O)c1cccc(F)c1

Molecular Weight¹

139.13

Other Names

• 3-fluorobenzamide
• Benzamide, 3-fluoro-
• Benzamide, m-fluoro-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.77; 290.96]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.14000e+00
Coefficient B			5.76100e-01
Coefficient C			-3.62260e-04
Coefficient D			8.02600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.77	J/mol×K	273.00	Calculated Property
Cp,gas	158.89	J/mol×K	353.78	Calculated Property
Cp,gas	185.39	J/mol×K	434.56	Calculated Property
Cp,gas	208.52	J/mol×K	515.33	Calculated Property
Cp,gas	228.55	J/mol×K	596.11	Calculated Property
Cp,gas	245.73	J/mol×K	676.89	Calculated Property
Cp,gas	260.30	J/mol×K	757.67	Calculated Property
Cp,gas	272.53	J/mol×K	838.44	Calculated Property
Cp,gas	282.66	J/mol×K	919.22	Calculated Property
Cp,gas	290.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to M-FLUOROBENZAMIDE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Thermodynamic Study of the Three Fluorobenzamides: Vapor Pressures, Phase Diagrams, and Hydrogen Bonds
• Joback Method
• McGowan Method
• NIST Webbook

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