Chemical Properties of CF3CH2SC2H5 (CAS 5187-62-2)

CF3CH2SC2H5

InChI
InChI=1S/C4H7F3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3
InChI Key
HGTCKYWIBWROKM-UHFFFAOYSA-N
Formula
C4H7F3S
SMILES
CCSCC(F)(F)F
Molecular Weight1
144.16
CAS
5187-62-2
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Physical Properties

Property Value Unit Source
PAff 797.60 kJ/mol NIST
BasG 766.40 kJ/mol NIST
ΔfH°gas -724.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.07 kJ/mol Joback Calculated Property
IE 9.38 eV Relay (1.0) Calculated Property
log10WS -1.50 Relay (1.0) Calculated Property
logPoct/wat 2.302 Crippen Calculated Property
McVol 88.880 ml/mol McGowan Calculated Property
Pc 3456.14 kPa Joback Calculated Property
Tc 517.80 K Relay (1.0) Calculated Property
Tfus 155.61 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [133.98; 274.96] 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 A1.26520e+01
Coefficient B5.39410e-01
Coefficient C-3.74600e-04
Coefficient D9.75000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 133.98 J/mol×K 273.00 Calculated Property
Cp,gas 160.92 J/mol×K 353.78 Calculated Property
Cp,gas 184.32 J/mol×K 434.56 Calculated Property
Cp,gas 204.49 J/mol×K 515.33 Calculated Property
Cp,gas 221.74 J/mol×K 596.11 Calculated Property
Cp,gas 236.38 J/mol×K 676.89 Calculated Property
Cp,gas 248.71 J/mol×K 757.67 Calculated Property
Cp,gas 259.05 J/mol×K 838.44 Calculated Property
Cp,gas 267.69 J/mol×K 919.22 Calculated Property
Cp,gas 274.96 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethyl sulfide. Ethanethioic acid, trifluoro-, S-ethyl ester. 2-Chloroethyl ethyl sulfide. Propargyl ethyl sulphide. diethyl sulfoxide. 2-[Ethylthio]ethanal. Ethane, (methylthio)-. 1,2-Bis(ethylthio)ethane. 2,5-dithiaheptane. 3-Thia-1-pentanethiol. Propane, 2-(ethylthio)-. Ethane, 1,1'-sulfonylbis-. 1,4-Dithiane. 1,4,7,10-Tetrathiacyclododecane. Ethyl chloromethyl sulfide.

Find more compounds similar to CF3CH2SC2H5.

Sources

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