Chemical Properties of 1-Mercapto-2-butanone

1-Mercapto-2-butanone

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InChI
InChI=1S/C4H8OS/c1-2-4(5)3-6/h6H,2-3H2,1H3
InChI Key
VINFWNLYQUNBOU-UHFFFAOYSA-N
Formula
C4H8OS
SMILES
CCC(=O)CS
Molecular Weight1
104.17
Other Names
  • 2-Butanone, 1-mercapto
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Physical Properties

Property Value Unit Source
Δf -116.73 kJ/mol Joback Calculated Property
Δfgas -199.99 kJ/mol Joback Calculated Property
Δfus 11.76 kJ/mol Joback Calculated Property
Δvap 37.98 kJ/mol Joback Calculated Property
log10WS -0.85 Crippen Calculated Property
logPoct/wat 0.895 Crippen Calculated Property
McVol 85.140 ml/mol McGowan Calculated Property
Pc 4596.38 kPa Joback Calculated Property
Inp [836.00; 886.00]   Show Hide
Inp 886.00 NIST
Inp 836.00 NIST
Inp 836.00 NIST
Inp 886.00 NIST
I [1431.00; 1431.00]   Show Hide
I 1431.00 NIST
I 1431.00 NIST
Tboil 407.65 K Joback Calculated Property
Tc 612.92 K Joback Calculated Property
Tfus 221.23 K Joback Calculated Property
Vc 0.320 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [147.09; 189.72] J/mol×K [407.65; 612.92] Show Hide
Cp,gas 147.09 J/mol×K 407.65 Joback Calculated Property
Cp,gas 155.07 J/mol×K 441.86 Joback Calculated Property
Cp,gas 162.69 J/mol×K 476.07 Joback Calculated Property
Cp,gas 169.95 J/mol×K 510.28 Joback Calculated Property
Cp,gas 176.88 J/mol×K 544.50 Joback Calculated Property
Cp,gas 183.46 J/mol×K 578.71 Joback Calculated Property
Cp,gas 189.72 J/mol×K 612.92 Joback Calculated Property

Similar Compounds

1-Mercapto-2-heptadecanone. bis-(2-Oxobutyl) disulfide. 2-mercapto-3-pentanone. 1-Mercaptobutan-3-one. 1-Mercapto-3-pentanone. 1-Sulfanylpentan-3-one. 1-Mercaptopentan-3-one. 1-Butanethiol. 3-mercapto-2-butanone. 5-Mercapto-2-pentanone. 6-Mercapto-2-hexanone. Dihydro-3-(2H)-thiophenone. 1,2-Dithian-4-one. 2-Butanone. 3-(2-Oxobutyldithio)butan-2-one.

Find more compounds similar to 1-Mercapto-2-butanone.

Sources

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