Chemical Properties of Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexafluoro- (CAS 6733-01-3)

InChI

InChI=1S/C6F6/c7-1-2(8)6(12)4(10)3(9)5(1,6)11

InChI Key

NYGMLGNCZOOGFI-UHFFFAOYSA-N

Formula

C6F6

SMILES

FC1=C(F)C2(F)C(F)=C(F)C12F

Molecular Weight¹

186.05

CAS

6733-01-3

Other Names

• Perfluorobicyclo[2.2.0]hexa-2,5-diene
• Hexafluorobicyclo[2.2.0]hexa-2,5-diene
• Dewar hexafluorobenzene
• Bicyclo[2.2.0]hexa-2,5-diene, hexafluoro-

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.34	kJ/mol	Joback Calculated Property
IE	[10.08; 10.40]	eV
IE	10.40 ± 0.10	eV	NIST
IE	10.08 ± 0.05	eV	NIST
IE	10.40	eV	NIST
logPoct/wat	2.731		Crippen Calculated Property
McVol	75.700	ml/mol	McGowan Calculated Property
Tboil	333.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.76; 196.67]	J/mol×K	[364.50; 525.14]
Cp,gas	160.76	J/mol×K	364.50	Joback Calculated Property
Cp,gas	168.86	J/mol×K	391.27	Joback Calculated Property
Cp,gas	176.00	J/mol×K	418.05	Joback Calculated Property
Cp,gas	182.26	J/mol×K	444.82	Joback Calculated Property
Cp,gas	187.73	J/mol×K	471.60	Joback Calculated Property
Cp,gas	192.50	J/mol×K	498.37	Joback Calculated Property
Cp,gas	196.67	J/mol×K	525.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexafluoro-.

Sources

• 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.
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