Chemical Properties of Cyclobutene, hexafluoro- (CAS 697-11-0)

InChI

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

InChI Key

QVHWOZCZUNPZPW-UHFFFAOYSA-N

Formula

C4F6

SMILES

FC1=C(F)C(F)(F)C1(F)F

Molecular Weight¹

162.03

CAS

697-11-0

Other Names

• 1,2,3,3,4,4-Hexafluorocyclobutene
• Hexafluorocyclobutene
• Perfluorocyclobutene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	0.24	eV	NIST
ΔfusH°	9.55	kJ/mol	Joback Calculated Property
IE	10.88	eV	Relay (1.0) Calculated Property
logPoct/wat	2.421		Crippen Calculated Property
McVol	62.680	ml/mol	McGowan Calculated Property
Tboil	[278.00; 278.50]	K
Tboil	278.50 ± 0.50	K	NIST
Tboil	278.00 ± 3.00	K	NIST
Tfus	213.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	212.79	K	Staveley, Lobo and Calado (1981), triple points 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	[104.23; 233.57]	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			-7.72300e+01
Coefficient B			9.78200e-01
Coefficient C			-1.32900e-03
Coefficient D			6.61600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.23	J/mol×K	273.00	Calculated Property
Cp,gas	131.79	J/mol×K	353.78	Calculated Property
Cp,gas	151.18	J/mol×K	434.56	Calculated Property
Cp,gas	164.47	J/mol×K	515.33	Calculated Property
Cp,gas	173.77	J/mol×K	596.11	Calculated Property
Cp,gas	181.17	J/mol×K	676.89	Calculated Property
Cp,gas	188.76	J/mol×K	757.67	Calculated Property
Cp,gas	198.62	J/mol×K	838.44	Calculated Property
Cp,gas	212.86	J/mol×K	919.22	Calculated Property
Cp,gas	233.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutene, 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).
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Cheméo Relay (1.0)
• 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

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.
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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