Chemical Properties of Benzene, 1-chloro-3-chlorofluoromethyl

InChI

InChI=1S/C7H5Cl2F/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H

InChI Key

OXPZSMIDBFQBNW-UHFFFAOYSA-N

Formula

C7H5Cl2F

SMILES

FC(Cl)c1cccc(Cl)c1

Molecular Weight¹

179.02

• 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).
• 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	0.3325		Relay (... Calculated Property
ΔfG°	-110.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.49	kJ/mol	Joback Calculated Property
ΔvapH°	54.48	kJ/mol	Relay (... Calculated Property
IE	9.73	eV	Relay (... Calculated Property
log10WS	-2.97		Relay (... Calculated Property
logPoct/wat	3.547		Crippen Calculated Property
McVol	111.980	ml/mol	McGowan Calculated Property
Pc	3522.09	kPa	Joback Calculated Property
Inp	[1126.00; 1126.00]
Inp	1126.00		NIST
Inp	1126.00		NIST
Tboil	463.48	K	Relay (... Calculated Property
Tc	707.66	K	Relay (... Calculated Property
Tfus	263.79	K	Relay (... Calculated Property
Vc	0.408	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.41; 243.76]	J/mol×K	[464.91; 685.73]
Cp,gas	195.41	J/mol×K	464.91	Joback Calculated Property
Cp,gas	204.98	J/mol×K	501.71	Joback Calculated Property
Cp,gas	213.90	J/mol×K	538.52	Joback Calculated Property
Cp,gas	222.22	J/mol×K	575.32	Joback Calculated Property
Cp,gas	229.94	J/mol×K	612.13	Joback Calculated Property
Cp,gas	237.11	J/mol×K	648.93	Joback Calculated Property
Cp,gas	243.76	J/mol×K	685.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-chlorofluoromethyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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