Chemical Properties of p-Fluorobenzophenone (CAS 345-83-5)

InChI

InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

InChI Key

OGTSHGYHILFRHD-UHFFFAOYSA-N

Formula

C13H9FO

SMILES

O=C(c1ccccc1)c1ccc(F)cc1

Molecular Weight¹

200.21

CAS

345-83-5

Other Names

• 4-Fluorobenzophenone
• Benzophenone, 4-fluoro-
• Methanone, (4-fluorophenyl)phenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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
ω	0.4922		Relay (1.0) Calculated Property
EA	[0.62; 0.73]	eV
EA	0.62 ± 0.10	eV	NIST
EA	0.73 ± 0.09	eV	NIST
EA	0.72 ± 0.05	eV	NIST
ΔfG°	-49.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-168.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.057		Crippen Calculated Property
McVol	149.850	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Tboil	575.20	K	Relay (1.0) Calculated Property
Tc	818.83	K	Relay (1.0) Calculated Property
Tfus	320.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.551	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.42; 446.01]	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			-4.89900e+01
Coefficient B			1.00530e+00
Coefficient C			-6.76460e-04
Coefficient D			1.66160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.42	J/mol×K	273.00	Calculated Property
Cp,gas	229.36	J/mol×K	353.78	Calculated Property
Cp,gas	273.76	J/mol×K	434.56	Calculated Property
Cp,gas	312.17	J/mol×K	515.33	Calculated Property
Cp,gas	345.10	J/mol×K	596.11	Calculated Property
Cp,gas	373.08	J/mol×K	676.89	Calculated Property
Cp,gas	396.63	J/mol×K	757.67	Calculated Property
Cp,gas	416.29	J/mol×K	838.44	Calculated Property
Cp,gas	432.57	J/mol×K	919.22	Calculated Property
Cp,gas	446.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Fluorobenzophenone.

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

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