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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
-F	3
=C< (ring)	6
-Cl	3

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.