Chemical Properties of 3-Sulfanylhexyl Tetradodecanoate

3-Sulfanylhexyl Tetradodecanoate

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InChI
InChI=1S/C20H40O2S/c1-3-5-6-7-8-9-10-11-12-13-14-16-20(21)22-18-17-19(23)15-4-2/h19,23H,3-18H2,1-2H3
InChI Key
LMBOHFYTEYIWQI-UHFFFAOYSA-N
Formula
C20H40O2S
SMILES
CCCCCCCCCCCCCC(=O)OCCC(S)CCC
Molecular Weight1
344.60
Sources

Physical Properties

Property Value Unit Source
Δf -89.45 kJ/mol Joback Calculated Property
Δfgas -667.73 kJ/mol Joback Calculated Property
Δfus 50.86 kJ/mol Joback Calculated Property
Δvap 75.62 kJ/mol Joback Calculated Property
logPoct/wat 6.72 Crippen Calculated Property
Pc 1096.44 kPa Joback Calculated Property
Tboil 795.71 K Joback Calculated Property
Tc 981.41 K Joback Calculated Property
Tfus 408.78 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 976.31 J/mol×K 795.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
-CH2- 16
-SH 1
>C=O (nonring) 1

Similar Compounds

3-Sulfanylhexyl Hexadodecanoate. 3-Sulfanylhexyl Decanoate. 3-Sulfanylhexyl Octanoate. 3-Sulfanylhexyl Dodecanoate. 3-Sulfanylhexyl Octadodecanoate. 3-Mercaptohexyl hexanoate. 3-Mercaptohexyl butanoate. 3-Methyl-3-sulfanylbutyl Tetradecanoate. 3-Methyl-3-sulfanylbutyl Octanoate. 3-Methyl-3-sulfanylbutyl Octadecanoate. 3-Methyl-3-sulfanylbutyl Hexadecanoate. 3-Methyl-3-sulfanylbutyl Dodecanoate. 3-Methyl-3-sulfanylbutyl Decanoate. 3-mercaptoheptyl-acetate. 3-Methyl-3-sulfanylbutyl Hexanoate.

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