Chemical Properties of Benzene, 1,3,5-trichloro-2,4,6-trifluoro- (CAS 319-88-0)

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InChI

InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11

InChI Key

QPXZZPSKCVNHFW-UHFFFAOYSA-N

Formula

C6Cl3F3

SMILES

Fc1c(Cl)c(F)c(Cl)c(F)c1Cl

Molecular Weight¹

235.42

CAS

319-88-0

Other Names

• 1,3,5-Trichloro-2,4,6-trifluorobenzene
• 1,3,5-Trichlorotrifluorobenzene

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,solid: Solid phase 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_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar}: Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-556.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-623.54	kJ/mol	Joback Calculated Property
ΔfusH°	25.22	kJ/mol	Joback Calculated Property
ΔvapH°	53.80	kJ/mol	NIST
IE	9.30	eV	NIST
IE	9.48 ± 0.02	eV	NIST
logPoct/wat	4.064		Crippen Calculated Property
Pc	3270.00 ± 40.00	kPa	NIST
S°solid,1 bar	243.30	J/mol×K	NIST
S°solid,1 bar	245.35	J/mol×K	NIST
Tboil	352.70	K	NIST
Tboil	352.60	K	NIST
Tc	684.80 ± 0.40	K	NIST
Tfus	337.93	K	Joback Calculated Property
Ttriple	335.01 ± 0.02	K	NIST
Ttriple	334.16 ± 0.02	K	NIST
Vc	0.465	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	191.70	J/mol×K	498.36	Joback Calculated Property
Cp,solid	197.00	J/mol×K	298.15	NIST
Cp,solid	197.95	J/mol×K	298.15	NIST
ΔfusH	[19.83; 19.85]	kJ/mol	[334.16; 335.01]
ΔfusH	19.85	kJ/mol	334.16	NIST
ΔfusH	19.83	kJ/mol	335.0	NIST
ΔfusH	19.83	kJ/mol	335.0	NIST
ΔfusH	19.83	kJ/mol	335.01	NIST
ΔvapH	49.20	kJ/mol	430.0	NIST
ΔfusS	59.40	J/mol×K	334.16	NIST
ΔfusS	59.19	J/mol×K	335.01	NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring)	6
-F	3
-Cl	3

Similar Compounds

Find more compounds similar to Benzene, 1,3,5-trichloro-2,4,6-trifluoro-.

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