Chemical Properties of Benzene, 1-chloro-4-fluoro- (CAS 352-33-0)

InChI

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

InChI Key

RJCGZNCCVKIBHO-UHFFFAOYSA-N

Formula

C6H4ClF

SMILES

Fc1ccc(Cl)cc1

Molecular Weight¹

130.55

CAS

352-33-0

Other Names

• 1,4-Fluorochlorobenzene
• 1-Fluoro-4-chlorobenzene
• 1-chloro-4-fluorobenzene
• 4-Chlorofluorobenzene
• 4-chloro-1-fluorobenzene
• p-Chlorofluorobenzene
• p-Fluorochlorobenzene

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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
ΔfG°	-104.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.96	kJ/mol	Joback Calculated Property
ΔfusH°	12.22	kJ/mol	Joback Calculated Property
ΔsubH°	[71.86; 71.90]	kJ/mol
ΔsubH°	71.86 ± 0.21	kJ/mol	NIST
ΔsubH°	71.90 ± 0.40	kJ/mol	NIST
ΔvapH°	35.46	kJ/mol	Joback Calculated Property
IE	[9.01; 9.26]	eV
IE	9.08 ± 0.02	eV	NIST
IE	9.01 ± 0.01	eV	NIST
IE	9.05	eV	NIST
IE	9.26	eV	NIST
log10WS	-2.49		Crippen 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	[827.00; 840.50]
Inp	840.50		NIST
Inp	827.00		NIST
Inp	840.50		NIST
Inp	827.00		NIST
Tboil	[402.50; 402.70]	K
Tboil	402.70	K	NIST
Tboil	402.50 ± 0.50	K	NIST
Tc	616.31	K	Joback Calculated Property
Tfus	226.83	K	Joback Calculated Property
Vc	0.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.91; 178.96]	J/mol×K	[405.04; 616.31]
Cp,gas	135.91	J/mol×K	405.04	Joback Calculated Property
Cp,gas	144.28	J/mol×K	440.25	Joback Calculated Property
Cp,gas	152.15	J/mol×K	475.46	Joback Calculated Property
Cp,gas	159.53	J/mol×K	510.67	Joback Calculated Property
Cp,gas	166.45	J/mol×K	545.88	Joback Calculated Property
Cp,gas	172.92	J/mol×K	581.09	Joback Calculated Property
Cp,gas	178.96	J/mol×K	616.31	Joback Calculated Property
ΔfusH	[13.90; 16.10]	kJ/mol	[245.00; 326.70]
ΔfusH	13.90	kJ/mol	245.00	NIST
ΔfusH	16.10	kJ/mol	326.70	NIST
ΔsubH	61.10 ± 0.60	kJ/mol	313.00	NIST
ΔvapH	[42.80; 56.50]	kJ/mol	[298.15; 416.50]
ΔvapH	42.80	kJ/mol	298.15	Vaporiz...
ΔvapH	56.50	kJ/mol	416.50	NIST

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-4-fluoro-.

Sources

• Crippen Method
• Crippen Method
• Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
• Joback Method
• McGowan Method
• NIST Webbook

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