Chemical Properties of Perfluorohxamethyl benzvalene (CAS 22186-64-7)

Perfluorohxamethyl benzvalene

InChI
InChI=1S/C12F18/c13-5(14,15)1-2(6(16,17)18)4(10(22,23)24)7(11(25,26)27)3(1,9(19,20)21)8(4,7)12(28,29)30
InChI Key
FICGHCVUNRMIDX-UHFFFAOYSA-N
Formula
C12F18
SMILES
FC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)C3(C(F)(F)F)C1(C(F)(F)F)C23C(F)(F)F
Molecular Weight1
486.10
CAS
22186-64-7
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 14.82 kJ/mol Joback Calculated Property
logPoct/wat 6.643 Crippen Calculated Property
McVol 174.920 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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
ΔvapH 38.60 kJ/mol 323.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [328.39; 706.97] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.38230e+02
Coefficient B3.55860e+00
Coefficient C-4.68300e-03
Coefficient D2.16960e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 328.39 J/mol×K 273.00 Calculated Property
Cp,gas 430.67 J/mol×K 353.78 Calculated Property
Cp,gas 501.89 J/mol×K 434.56 Calculated Property
Cp,gas 548.90 J/mol×K 515.33 Calculated Property
Cp,gas 578.57 J/mol×K 596.11 Calculated Property
Cp,gas 597.77 J/mol×K 676.89 Calculated Property
Cp,gas 613.34 J/mol×K 757.67 Calculated Property
Cp,gas 632.16 J/mol×K 838.44 Calculated Property
Cp,gas 661.08 J/mol×K 919.22 Calculated Property
Cp,gas 706.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

Perfluorohexamethyl dewar benzene. 3-Hexene, 3,4-dimethyl, perfluoro-. dl-5-Hydroxylysine, N,N,O-tris(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester. Fluoxymesterone. Quinoline, 1,2,3,4-tetrahydro-2-methyl-. 4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide. 7-ethyl-3-methyl-2-methoxy-2,3-dihydroindole. 3-hydroxy-4-methylglutamic acid, N(O,S)-isoBOC TBDMS, diastreoisomer 1. 3-hydroxy-4-methylglutamic acid, N(O,S)-isoBOC TBDMS, diastreoisomer 2. B-Pseudouridine riboside, TMS. 5«beta»-Androstan-3«beta»-ol-17-one, allyl-DMS. 5«alpha»-Androstan-3«alpha»-ol-17-one, allyl-DMS. 5«beta»-Androstan-3«alpha»-ol-17-one, allyl-DMS. 5«alpha»-Androstan-3«beta»-ol-17-one, allyl-DMS. Lys, TBDMS.

Find more compounds similar to Perfluorohxamethyl benzvalene.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.