Chemical Properties of 2-Butyne, 1,1,1,4,4,4-hexafluoro- (CAS 692-50-2)

InChI

InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10

InChI Key

WBCLXFIDEDJGCC-UHFFFAOYSA-N

Formula

C4F6

SMILES

FC(F)(F)C#CC(F)(F)F

Molecular Weight¹

162.03

CAS

692-50-2

Other Names

• Bis(trifluoromethyl)acetylene
• Hexafluoro-2-butyne
• Perfluoro-2-butyne
• 1,1,1,4,4,4-Hexafluoro-2-butyne
• CF3C«equiv»CCF3
• Hexafluorobutyne-2
• 2-Butyne, hexafluoro-
• 1,1,1,4,4,4-hexafluorobut-2-yne

• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2340		Relay (1.0) Calculated Property
ΔfG°	-977.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1060.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.89	kJ/mol	Joback Calculated Property
IE	[12.31; 12.35]	eV
IE	12.35 ± 0.01	eV	NIST
IE	12.31	eV	NIST
logPoct/wat	2.114		Crippen Calculated Property
McVol	69.240	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Tboil	248.50	K	NIST
Tc	371.54	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.48; 160.27]	J/mol×K	[289.08; 439.33]
Cp,gas	124.48	J/mol×K	289.08	Joback Calculated Property
Cp,gas	131.52	J/mol×K	314.12	Joback Calculated Property
Cp,gas	138.10	J/mol×K	339.16	Joback Calculated Property
Cp,gas	144.25	J/mol×K	364.20	Joback Calculated Property
Cp,gas	149.98	J/mol×K	389.25	Joback Calculated Property
Cp,gas	155.32	J/mol×K	414.29	Joback Calculated Property
Cp,gas	160.27	J/mol×K	439.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyne, 1,1,1,4,4,4-hexafluoro-.

Sources

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

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.
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