Chemical Properties of 2-Butene, 2,3-dichloro-1,1,1,4,4,4-hexafluoro- (CAS 303-04-8)

InChI

InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+

InChI Key

XDIDQEGAKCWQQP-OWOJBTEDSA-N

Formula

C4Cl2F6

SMILES

FC(F)(F)C(Cl)=C(Cl)C(F)(F)F

Molecular Weight¹

232.94

CAS

303-04-8

Other Names

• 2,3-Dichloro-1,1,1,4,4,4-hexafluorobutene-2
• 2,3-Dichlorohexafluoro-2-butene
• 2,3-Dichlorohexafluorobutene-2
• 2,3-dichlorohexafluorobut-2-ene
• 2-Butene, 2,3-dichlorohexafluoro-
• Dchfb
• trans-2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
IE	10.36 ± 0.01	eV	NIST
logPoct/wat	3.800		Crippen Calculated Property
McVol	98.020	ml/mol	McGowan Calculated Property
Tboil	[340.20; 341.50]	K
Tboil	340.20	K	NIST
Tboil	341.50 ± 0.50	K	NIST
Tfus	205.85	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.72; 256.47]	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			-9.30000e-01
Coefficient B			7.39600e-01
Coefficient C			-7.65000e-04
Coefficient D			2.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.72	J/mol×K	273.00	Calculated Property
Cp,gas	177.50	J/mol×K	353.78	Calculated Property
Cp,gas	199.21	J/mol×K	434.56	Calculated Property
Cp,gas	215.75	J/mol×K	515.33	Calculated Property
Cp,gas	228.02	J/mol×K	596.11	Calculated Property
Cp,gas	236.90	J/mol×K	676.89	Calculated Property
Cp,gas	243.29	J/mol×K	757.67	Calculated Property
Cp,gas	248.08	J/mol×K	838.44	Calculated Property
Cp,gas	252.18	J/mol×K	919.22	Calculated Property
Cp,gas	256.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 2,3-dichloro-1,1,1,4,4,4-hexafluoro-.

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, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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