Chemical Properties of Benzene, (2,2-dichloro-1,1,2-trifluoroethyl)-3-(fluorosulfonyl)

InChI

InChI=1S/C8H4Cl2F4O2S/c9-8(10,13)7(11,12)5-2-1-3-6(4-5)17(14,15)16/h1-4H

InChI Key

XUSPAHZOHZRAPT-UHFFFAOYSA-N

Formula

C8H4Cl2F4O2S

SMILES

O=S(=O)(F)c1cccc(C(F)(F)C(F)(Cl)Cl)c1

Molecular Weight¹

311.08

• 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	0.4804		Relay (1.0) Calculated Property
ΔfG°	-1146.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1107.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.39	kJ/mol	Joback Calculated Property
ΔvapH°	79.06	kJ/mol	Relay (1.0) Calculated Property
IE	10.53	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	3.538		Crippen Calculated Property
McVol	159.470	ml/mol	McGowan Calculated Property
Pc	3337.38	kPa	Joback Calculated Property
Inp	[1386.00; 1386.00]
Inp	1386.00		NIST
Inp	1386.00		NIST
Tboil	520.06	K	Relay (1.0) Calculated Property
Tc	762.95	K	Relay (1.0) Calculated Property
Tfus	362.20	K	Relay (1.0) Calculated Property
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.52; 393.93]	J/mol×K	[527.36; 726.67]
Cp,gas	341.52	J/mol×K	527.36	Joback Calculated Property
Cp,gas	352.39	J/mol×K	560.58	Joback Calculated Property
Cp,gas	362.35	J/mol×K	593.80	Joback Calculated Property
Cp,gas	371.43	J/mol×K	627.01	Joback Calculated Property
Cp,gas	379.69	J/mol×K	660.23	Joback Calculated Property
Cp,gas	387.18	J/mol×K	693.45	Joback Calculated Property
Cp,gas	393.93	J/mol×K	726.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2,2-dichloro-1,1,2-trifluoroethyl)-3-(fluorosulfonyl).

Sources

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

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