Chemical Properties of 3-Methyl-3-sulfanylbutyl Hexanoate

3-Methyl-3-sulfanylbutyl Hexanoate

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InChI
InChI=1S/C11H22O2S/c1-4-5-6-7-10(12)13-9-8-11(2,3)14/h14H,4-9H2,1-3H3
InChI Key
OBTUFRVSTPEASS-UHFFFAOYSA-N
Formula
C11H22O2S
SMILES
CCCCCC(=O)OCCC(C)(C)S
Molecular Weight1
218.36
Sources

Physical Properties

Property Value Unit Source
Δf -159.95 kJ/mol Joback Calculated Property
Δfgas -485.44 kJ/mol Joback Calculated Property
Δfus 23.66 kJ/mol Joback Calculated Property
Δvap 54.68 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 2173.43 kPa Joback Calculated Property
Tboil 587.00 K Joback Calculated Property
Tc 784.70 K Joback Calculated Property
Tfus 324.77 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 474.94 J/mol×K 587.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
-CH2- 6
>C< 1
-SH 1
>C=O (nonring) 1

Similar Compounds

3-Methyl-3-sulfanylbutyl Octadecanoate. 3-Methyl-3-sulfanylbutyl Tetradecanoate. 3-Methyl-3-sulfanylbutyl Hexadecanoate. 3-Methyl-3-sulfanylbutyl Decanoate. 3-Methyl-3-sulfanylbutyl Octanoate. 3-Methyl-3-sulfanylbutyl Dodecanoate. 3-Methyl-3-sulfanylbutyl Butanoate. 3-Mercaptohexyl hexanoate. 3-Sulfanylhexyl Hexadodecanoate. 3-Sulfanylhexyl Octanoate. 3-Sulfanylhexyl Dodecanoate. 3-Sulfanylhexyl Octadodecanoate. 3-Sulfanylhexyl Decanoate. 3-Sulfanylhexyl Tetradodecanoate. Isopentyl hexanoate.

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