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

3-(Acetylthio)-2-propylheptanal

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InChI
InChI=1S/C12H22O2S/c1-4-6-8-12(15-10(3)14)11(9-13)7-5-2/h9,11-12H,4-8H2,1-3H3
InChI Key
LQLZAAWYPGNZTR-UHFFFAOYSA-N
Formula
C12H22O2S
SMILES
CCCCC(SC(C)=O)C(C=O)CCC
Molecular Weight1
230.37
Sources

Physical Properties

Property Value Unit Source
Δf -150.04 kJ/mol Joback Calculated Property
Δfgas -457.86 kJ/mol Joback Calculated Property
Δfus 27.81 kJ/mol Joback Calculated Property
Δvap 61.81 kJ/mol Joback Calculated Property
logPoct/wat 3.44 Crippen Calculated Property
Pc 2066.12 kPa Joback Calculated Property
Tboil 644.39 K Joback Calculated Property
Tc 841.09 K Joback Calculated Property
Tfus 321.33 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 521.68 J/mol×K 644.39 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH3 3
-CH2- 5
-S- 1
O=CH- (aldehyde) 1
>C=O (nonring) 1

Similar Compounds

3-(Acetylthio)-2-butyloctanal. 3-(Acetylthio)-2-pentylnonanal. 3-(Acetylthio)-2-ethylhexanal. 3-(Acetylthio)-2-methylpentanal. cis-Wiskey lactone, thio. trans-Wiskey lactone, thio. 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-Norbornanethiol, acetate. 5-Butyldihydro-2(3h)thiophenone. 6-pentyltetrahydro-2H-thiopyran-2-one. 6-heptyltetrahydro-2H-thiopyran-2-one. 5-hexyldihydro-2(3H)-thiophenone. 5-octyldihydro-2(3H)-thiophenone. 6-Propyltetrahydro-2h-thiopyran-2-one.

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

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