Chemical Properties of 3-Penten-2-one, 1,1,1-trifluoro-4-mercapto (CAS 7141-17-5)

3-Penten-2-one, 1,1,1-trifluoro-4-mercapto

InChI
InChI=1S/C5H5F3OS/c1-3(10)2-4(9)5(6,7)8/h2,10H,1H3/b3-2-
InChI Key
RCKPNIPOQOBBDS-IHWYPQMZSA-N
Formula
C5H5F3OS
SMILES
CC(S)=CC(=O)C(F)(F)F
Molecular Weight1
170.15
CAS
7141-17-5
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Physical Properties

Property Value Unit Source
ΔfusH° 15.06 kJ/mol Joback Calculated Property
IE 9.23 eV Relay (1.0) Calculated Property
logPoct/wat 1.951 Crippen Calculated Property
McVol 100.240 ml/mol McGowan Calculated Property
Tboil 401.13 K Relay (1.0) Calculated Property
Tfus 269.80 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [194.97; 239.06] J/mol×K [429.35; 626.56] Show Hide
Cp,gas 194.97 J/mol×K 429.35 Joback Calculated Property
Cp,gas 203.84 J/mol×K 462.22 Joback Calculated Property
Cp,gas 212.05 J/mol×K 495.09 Joback Calculated Property
Cp,gas 219.64 J/mol×K 527.95 Joback Calculated Property
Cp,gas 226.64 J/mol×K 560.82 Joback Calculated Property
Cp,gas 233.11 J/mol×K 593.69 Joback Calculated Property
Cp,gas 239.06 J/mol×K 626.56 Joback Calculated Property

Similar Compounds

4-Hexen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-. 2-Octen-4-one, 5,5,6,6,7,7,8,8-octafluoro-2-mercapto-. 4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-. Trifluoromethyl (2-hydroxy-1-propenyl) ketone. Iron, tris(1,1,1-trifluoro-2,4-pentanedionato)-. 4-Hepten-3-one, 1,1,2,2-tetrafluoro-5-mercapto-6,6-dimethyl-. Zirconium(IV) trifluoroacetylacetonate. 4-Nonen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-. 5-Methyl-3(2H)-dihydrothiophenone. Palladium, bis(1,1,1-trifluoro-2,4-pentanedionato)-. 2-Propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)-. 3-Penten-2-one, 4-methyl-. 2,6-DIMETHYL-P-BENZOQUINONE. Boron, difluoro(2,4-pentanedionato-O,O')-, (T-4)-. 2,5-Heptadien-4-one, 2,6-dimethyl-.

Find more compounds similar to 3-Penten-2-one, 1,1,1-trifluoro-4-mercapto.

Sources

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