Chemical Properties of Benzene, 1-(chloromethyl)-2-fluoro-

InChI

InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

InChI Key

MOBRMRJUKNQBMY-UHFFFAOYSA-N

Formula

C7H6ClF

SMILES

Fc1ccccc1CCl

Molecular Weight¹

144.58

Other Names

• o-Fluorobenzyl chloride
• 2-Fluorobenzyl chloride
• «alpha»-Chloro-o-fluorotoluene
• «alpha»-Chloro-2-fluorotoluene
• Toluene, «alpha»-chloro-o-fluoro-
• 1-(Chloromethyl)-2-fluorobenzene

• 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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	-173.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.81	kJ/mol	Joback Calculated Property
ΔvapH°	50.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
logPoct/wat	2.564		Crippen Calculated Property
McVol	99.740	ml/mol	McGowan Calculated Property
Inp	[983.70; 983.70]
Inp	983.70		NIST
Inp	983.70		NIST
Tboil	446.69	K	Relay (1.0) Calculated Property
Tc	670.60	K	Relay (1.0) Calculated Property
Tfus	268.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[359.00; 359.20]	K	[5.30; 5.30]
Tboilr	359.00	K	5.30	NIST
Tboilr	359.20	K	5.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.88; 274.24]	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			-4.09900e+00
Coefficient B			5.49000e-01
Coefficient C			-3.57960e-04
Coefficient D			8.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.88	J/mol×K	273.00	Calculated Property
Cp,gas	149.19	J/mol×K	353.78	Calculated Property
Cp,gas	174.04	J/mol×K	434.56	Calculated Property
Cp,gas	195.70	J/mol×K	515.33	Calculated Property
Cp,gas	214.46	J/mol×K	596.11	Calculated Property
Cp,gas	230.58	J/mol×K	676.89	Calculated Property
Cp,gas	244.34	J/mol×K	757.67	Calculated Property
Cp,gas	256.02	J/mol×K	838.44	Calculated Property
Cp,gas	265.90	J/mol×K	919.22	Calculated Property
Cp,gas	274.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(chloromethyl)-2-fluoro-.

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

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