Chemical Properties of 3-Mercaptohexyl butanoate (CAS 136954-21-7)

3-Mercaptohexyl butanoate

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InChI
InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3
InChI Key
TZNJKOLXWHXDAF-UHFFFAOYSA-N
Formula
C10H20O2S
SMILES
CCCC(=O)OCCC(S)CCC
Molecular Weight1
204.33
CAS
136954-21-7
Other Names
  • Butanoic acid, 3-mercaptohexyl ester
  • 3-sulfanylhexyl butanoate
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Physical Properties

Property Value Unit Source
Δf -173.65 kJ/mol Joback Calculated Property
Δfgas -461.33 kJ/mol Joback Calculated Property
Δfus 24.96 kJ/mol Joback Calculated Property
Δvap 53.36 kJ/mol Joback Calculated Property
log10WS -3.05 Crippen Calculated Property
logPoct/wat 2.818 Crippen Calculated Property
McVol 175.550 ml/mol McGowan Calculated Property
Pc 2356.49 kPa Joback Calculated Property
I [1821.00; 1860.00]   Show Hide
I 1860.00 NIST
I 1821.00 NIST
Tboil 566.91 K Joback Calculated Property
Tc 760.21 K Joback Calculated Property
Tfus 296.08 K Joback Calculated Property
Vc 0.667 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [422.94; 501.97] J/mol×K [566.91; 760.21] Show Hide
Cp,gas 422.94 J/mol×K 566.91 Joback Calculated Property
Cp,gas 437.78 J/mol×K 599.13 Joback Calculated Property
Cp,gas 451.94 J/mol×K 631.34 Joback Calculated Property
Cp,gas 465.43 J/mol×K 663.56 Joback Calculated Property
Cp,gas 478.26 J/mol×K 695.77 Joback Calculated Property
Cp,gas 490.44 J/mol×K 727.99 Joback Calculated Property
Cp,gas 501.97 J/mol×K 760.21 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 3-Mercaptohexyl butanoate.

Sources

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