Chemical Properties of 3-(Methylthio)-2-butanone (CAS 53475-15-3)

3-(Methylthio)-2-butanone

InChI
InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
InChI Key
HFVLNCDRAMUMCC-UHFFFAOYSA-N
Formula
C5H10OS
SMILES
CSC(C)C(C)=O
Molecular Weight1
118.20
CAS
53475-15-3
Other Names
  • 2-Butanone, 3-(methylthio)-
  • dl-3-(Methylthio)-2-butanone
  • DL-3-(methylthio)butanone
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Physical Properties

Property Value Unit Source
ω 0.3199 Relay (1.0) Calculated Property
ΔfH°gas -246.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.91 kJ/mol Joback Calculated Property
ΔvapH° 47.89 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS 0.04 Relay (1.0) Calculated Property
logPoct/wat 1.327 Crippen Calculated Property
McVol 99.230 ml/mol McGowan Calculated Property
Pc 3857.88 kPa Joback Calculated Property
Tboil 433.14 K Relay (1.0) Calculated Property
Tc 634.33 K Relay (1.0) Calculated Property
Tfus 237.40 K Relay (1.0) Calculated Property
Vc 0.343 m3/kmol Relay (1.0) Calculated Property

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Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 325.20 K 2.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [132.66; 293.43] 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 A2.36200e+01
Coefficient B4.51150e-01
Coefficient C-1.92500e-04
Coefficient D1.11600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 132.66 J/mol×K 273.00 Calculated Property
Cp,gas 159.63 J/mol×K 353.78 Calculated Property
Cp,gas 184.23 J/mol×K 434.56 Calculated Property
Cp,gas 206.52 J/mol×K 515.33 Calculated Property
Cp,gas 226.51 J/mol×K 596.11 Calculated Property
Cp,gas 244.26 J/mol×K 676.89 Calculated Property
Cp,gas 259.79 J/mol×K 757.67 Calculated Property
Cp,gas 273.14 J/mol×K 838.44 Calculated Property
Cp,gas 284.34 J/mol×K 919.22 Calculated Property
Cp,gas 293.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

bis(1-methyl-2-oxopropyl) sulfide. 2-METHYLTETRAHYDROTHIOPHEN-3-ONE. 2-[(1-methyl-2-oxopropyl)-thio]-3-pentanone. Butane, 2-(methylthio)-. 2-acetylthietane. bis(1-methyl-2-oxobutyl) sulfide. 3-(METHYLTHIO)PENTA-2,4-DIONE. Butanal, 2,3-bis-(methylthio). Butane, 2-methyl-3-(methylthio)-. Dihydro-3-(2H)-thiophenone. 3-mercapto-2-butanone. Butane, 2-(ethylthio)-. 3-methyl-4-thiaheptane. 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, B. 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A.

Find more compounds similar to 3-(Methylthio)-2-butanone.

Sources

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