Chemical Properties of Benzene, 1-chloro-2-fluoro- (CAS 348-51-6)

InChI

InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H

InChI Key

ZCJAYDKWZAWMPR-UHFFFAOYSA-N

Formula

C6H4ClF

SMILES

Fc1ccccc1Cl

Molecular Weight¹

130.55

CAS

348-51-6

Other Names

• 1-Fluoro-2-chlorobenzene
• 1-chloro-2-fluorobenzene
• 2-Chlorofluorobenzene
• 2-chloro-1-fluorobenzene
• o-Chlorofluorobenzene
• o-Fluorochlorobenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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	0.2711		Relay (1.0) Calculated Property
ΔfG°	-104.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔvapH°	43.22	kJ/mol	Relay (1.0) Calculated Property
IE	[9.16; 9.18]	eV
IE	9.18 ± 0.02	eV	NIST
IE	9.18 ± 0.01	eV	NIST
IE	9.16 ± 0.01	eV	NIST
IE	9.16	eV	NIST
log10WS	-2.21		Relay (1.0) Calculated Property
logPoct/wat	2.479		Crippen Calculated Property
McVol	85.650	ml/mol	McGowan Calculated Property
Pc	4109.14	kPa	Joback Calculated Property
Inp	[835.20; 862.00]
Inp	862.00		NIST
Inp	835.20		NIST
Inp	862.00		NIST
Inp	835.20		NIST
Tboil	[410.50; 410.80]	K
Tboil	410.50 ± 0.50	K	NIST
Tboil	410.80	K	NIST
Tc	628.52	K	Relay (1.0) Calculated Property
Tfus	228.15	K	Relay (1.0) Calculated Property
Vc	0.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[99.66; 222.65]	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			-3.19000e+00
Coefficient B			4.54000e-01
Coefficient C			-3.03560e-04
Coefficient D			7.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	99.66	J/mol×K	273.00	Calculated Property
Cp,gas	122.77	J/mol×K	353.78	Calculated Property
Cp,gas	142.96	J/mol×K	434.56	Calculated Property
Cp,gas	160.47	J/mol×K	515.33	Calculated Property
Cp,gas	175.55	J/mol×K	596.11	Calculated Property
Cp,gas	188.42	J/mol×K	676.89	Calculated Property
Cp,gas	199.32	J/mol×K	757.67	Calculated Property
Cp,gas	208.51	J/mol×K	838.44	Calculated Property
Cp,gas	216.20	J/mol×K	919.22	Calculated Property
Cp,gas	222.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-2-fluoro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
• Joback Method
• McGowan Method
• NIST Webbook

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