Chemical Properties of 3-(Acetylthio)-2-methylpentanal

3-(Acetylthio)-2-methylpentanal

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InChI
InChI=1S/C8H14O2S/c1-4-8(6(2)5-9)11-7(3)10/h5-6,8H,4H2,1-3H3
InChI Key
SHIMCASOQRNQSL-UHFFFAOYSA-N
Formula
C8H14O2S
SMILES
CCC(SC(C)=O)C(C)C=O
Molecular Weight1
174.26
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Physical Properties

Property Value Unit Source
Δf -183.72 kJ/mol Joback Calculated Property
Δfgas -375.30 kJ/mol Joback Calculated Property
Δfus 17.45 kJ/mol Joback Calculated Property
Δvap 52.91 kJ/mol Joback Calculated Property
log10WS -1.98 Crippen Calculated Property
logPoct/wat 1.880 Crippen Calculated Property
McVol 143.070 ml/mol McGowan Calculated Property
Pc 3032.27 kPa Joback Calculated Property
Inp [1209.00; 1213.00]   Show Hide
Inp 1209.00 NIST
Inp 1213.00 NIST
I [1812.00; 1825.00]   Show Hide
I 1812.00 NIST
I 1825.00 NIST
I 1812.00 NIST
Tboil 552.87 K Joback Calculated Property
Tc 761.12 K Joback Calculated Property
Tfus 276.25 K Joback Calculated Property
Vc 0.548 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [326.69; 391.65] J/mol×K [552.87; 761.12] Show Hide
Cp,gas 326.69 J/mol×K 552.87 Joback Calculated Property
Cp,gas 339.13 J/mol×K 587.58 Joback Calculated Property
Cp,gas 350.91 J/mol×K 622.29 Joback Calculated Property
Cp,gas 362.04 J/mol×K 657.00 Joback Calculated Property
Cp,gas 372.53 J/mol×K 691.71 Joback Calculated Property
Cp,gas 382.40 J/mol×K 726.42 Joback Calculated Property
Cp,gas 391.65 J/mol×K 761.12 Joback Calculated Property

Similar Compounds

3-(Acetylthio)-2-ethylhexanal. 3-(Acetylthio)-2-propylheptanal. 3-(Acetylthio)-2-butyloctanal. 3-(Acetylthio)-2-pentylnonanal. trans-Wiskey lactone, thio. cis-Wiskey lactone, thio. 2-Norbornanethiol, acetate. 3-Mercapto-2-methylpentanal, # 1. 3-Mercapto-2-methylpentanal, # 2. 3-Mercapto-2-methylpentanal. S-(2-((1R,4R)-4-Methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate. S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel-. 2-isopropyl-thiacyclopentane. 6-heptyltetrahydro-2H-thiopyran-2-one. 6-pentyltetrahydro-2H-thiopyran-2-one.

Find more compounds similar to 3-(Acetylthio)-2-methylpentanal.

Sources

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