Chemical Properties of 2'-FLUOROACETANILIDE

InChI

InChI=1S/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)

InChI Key

AUZPZBPZWHEIDY-UHFFFAOYSA-N

Formula

C8H8FNO

SMILES

CC(=O)Nc1ccccc1F

Molecular Weight¹

153.16

Other Names

• Acetamide, N-(2-fluorophenyl)-
• N-(2-fluorophenyl)acetamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
IE	[8.27; 8.65]	eV
IE	8.65	eV	NIST
IE	8.27 ± 0.03	eV	NIST
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	1.784		Crippen Calculated Property
McVol	113.140	ml/mol	McGowan Calculated Property
Tboil	507.18	K	Relay (1.0) Calculated Property
Tfus	351.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[414.00; 414.20]	K	[1.90; 1.90]
Tboilr	414.20	K	1.90	NIST
Tboilr	414.00 ± 1.00	K	1.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.79; 343.47]	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			-1.17500e+01
Coefficient B			6.85420e-01
Coefficient C			-4.21860e-04
Coefficient D			9.16600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.79	J/mol×K	273.00	Calculated Property
Cp,gas	182.00	J/mol×K	353.78	Calculated Property
Cp,gas	213.96	J/mol×K	434.56	Calculated Property
Cp,gas	241.98	J/mol×K	515.33	Calculated Property
Cp,gas	266.35	J/mol×K	596.11	Calculated Property
Cp,gas	287.34	J/mol×K	676.89	Calculated Property
Cp,gas	305.26	J/mol×K	757.67	Calculated Property
Cp,gas	320.40	J/mol×K	838.44	Calculated Property
Cp,gas	333.04	J/mol×K	919.22	Calculated Property
Cp,gas	343.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2'-FLUOROACETANILIDE.

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
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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