Chemical Properties of 3-Mercaptohexyl hexanoate (CAS 136954-22-8)

3-Mercaptohexyl hexanoate

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InChI
InChI=1S/C12H24O2S/c1-3-5-6-8-12(13)14-10-9-11(15)7-4-2/h11,15H,3-10H2,1-2H3
InChI Key
KVXKOWZLYWBURN-UHFFFAOYSA-N
Formula
C12H24O2S
SMILES
CCCCCC(=O)OCCC(S)CCC
Molecular Weight1
232.38
CAS
136954-22-8
Other Names
  • Hexanoic acid, 3-mercaptohexyl ester
  • 3-sulfanylhexyl hexanoate
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Physical Properties

Property Value Unit Source
Δf -156.81 kJ/mol Joback Calculated Property
Δfgas -502.61 kJ/mol Joback Calculated Property
Δfus 30.14 kJ/mol Joback Calculated Property
Δvap 57.81 kJ/mol Joback Calculated Property
log10WS -3.89 Crippen Calculated Property
logPoct/wat 3.599 Crippen Calculated Property
McVol 203.730 ml/mol McGowan Calculated Property
Pc 1971.80 kPa Joback Calculated Property
I [2025.00; 2046.00]   Show Hide
I 2046.00 NIST
I 2025.00 NIST
I 2046.00 NIST
Tboil 612.67 K Joback Calculated Property
Tc 801.44 K Joback Calculated Property
Tfus 318.62 K Joback Calculated Property
Vc 0.779 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [523.04; 608.65] J/mol×K [612.67; 801.44] Show Hide
Cp,gas 523.04 J/mol×K 612.67 Joback Calculated Property
Cp,gas 539.16 J/mol×K 644.13 Joback Calculated Property
Cp,gas 554.52 J/mol×K 675.59 Joback Calculated Property
Cp,gas 569.14 J/mol×K 707.06 Joback Calculated Property
Cp,gas 583.02 J/mol×K 738.52 Joback Calculated Property
Cp,gas 596.19 J/mol×K 769.98 Joback Calculated Property
Cp,gas 608.65 J/mol×K 801.44 Joback Calculated Property

Similar Compounds

Pentanoic acid, 3-mercaptohexyl ester. 3-Sulfanylhexyl Tetradodecanoate. 3-Sulfanylhexyl Octanoate. 3-Sulfanylhexyl Hexadodecanoate. 3-Sulfanylhexyl Octadodecanoate. 3-Sulfanylhexyl Decanoate. 3-Sulfanylhexyl Dodecanoate. 3-Mercaptohexyl butanoate. 3-Mercaptohexyl acetate. 3-mercaptoheptyl-acetate. 3-mercaptononyl-acetate. 3-mercaptooctyl-acetate. 3-(Methylthio)hexyl hexanoate. 3-(Methylthio)hexyl butanoate. 3-mercaptopentyl-acetate.

Find more compounds similar to 3-Mercaptohexyl hexanoate.

Sources

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