Chemical Properties of Pentachloro fluoro ethane (CAS 354-56-3)

InChI

InChI=1S/C2Cl5F/c3-1(4,5)2(6,7)8

InChI Key

KQKBWZDTYSQPMD-UHFFFAOYSA-N

Formula

C2Cl5F

SMILES

FC(Cl)(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

220.28

CAS

354-56-3

• 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).
• 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	0.2349		Relay (1.0) Calculated Property
ΔfG°	-282.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.17	kJ/mol	Joback Calculated Property
ΔvapH°	40.86	kJ/mol	Relay (1.0) Calculated Property
IE	11.55	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	3.457		Crippen Calculated Property
McVol	102.010	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
Tboil	410.50 ± 0.50	K	NIST
Tc	633.43	K	Relay (1.0) Calculated Property
Tfus	[374.00; 374.45]	K
Tfus	374.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	374.00 ± 4.00	K	NIST
Vc	0.374	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.21; 173.87]	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			2.26700e+01
Coefficient B			4.91200e-01
Coefficient C			-5.47000e-04
Coefficient D			2.07000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.21	J/mol×K	273.00	Calculated Property
Cp,gas	137.15	J/mol×K	353.78	Calculated Property
Cp,gas	149.82	J/mol×K	434.56	Calculated Property
Cp,gas	158.87	J/mol×K	515.33	Calculated Property
Cp,gas	164.95	J/mol×K	596.11	Calculated Property
Cp,gas	168.73	J/mol×K	676.89	Calculated Property
Cp,gas	170.86	J/mol×K	757.67	Calculated Property
Cp,gas	171.99	J/mol×K	838.44	Calculated Property
Cp,gas	172.77	J/mol×K	919.22	Calculated Property
Cp,gas	173.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentachloro fluoro ethane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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