Chemical Properties of 3-(Methylthio)hexyl acetate (CAS 51755-85-2)

3-(Methylthio)hexyl acetate

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
InChI Key
VIQXICKUKPVFRK-UHFFFAOYSA-N
Formula
C9H18O2S
SMILES
CCCC(CCOC(C)=O)SC
Molecular Weight1
190.30
CAS
51755-85-2
Other Names
  • 1-Hexanol, 3-(methylthio)-, 1-acetate
  • acetato 3-metiltio-1-hexilo
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -178.34 kJ/mol Joback Calculated Property
Δfgas -437.30 kJ/mol Joback Calculated Property
Δfus 22.46 kJ/mol Joback Calculated Property
Δvap 51.21 kJ/mol Joback Calculated Property
log10WS -2.45 Crippen Calculated Property
logPoct/wat 2.471 Crippen Calculated Property
McVol 161.460 ml/mol McGowan Calculated Property
Pc 2472.73 kPa Joback Calculated Property
I [1749.00; 1766.00]   Show Hide
I 1766.00 NIST
I 1749.00 NIST
Tboil 549.95 K Joback Calculated Property
Tc 745.63 K Joback Calculated Property
Tfus 282.75 K Joback Calculated Property
Vc 0.612 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [378.02; 453.44] J/mol×K [549.95; 745.63] Show Hide
Cp,gas 378.02 J/mol×K 549.95 Joback Calculated Property
Cp,gas 392.14 J/mol×K 582.56 Joback Calculated Property
Cp,gas 405.64 J/mol×K 615.18 Joback Calculated Property
Cp,gas 418.52 J/mol×K 647.79 Joback Calculated Property
Cp,gas 430.78 J/mol×K 680.40 Joback Calculated Property
Cp,gas 442.42 J/mol×K 713.02 Joback Calculated Property
Cp,gas 453.44 J/mol×K 745.63 Joback Calculated Property

Similar Compounds

hexyl 3-(methylthio)propanoate. 3-(Methylthio)hexyl butanoate. 3-(Methylthio)hexyl hexanoate. 3-(acetylthio)hexyl acetate. 3-(butanoylthio)hexyl butanoate. 3-Mercaptohexyl acetate. 3-(hexanoylthio) hexyl hexanoate. 3-mercaptoheptyl-acetate. 3-mercaptononyl-acetate. 3-mercaptooctyl-acetate. 3-(methylthio) hexanol. trans-2-methyl-4- n-propyl-1,3-oxathiane. cis-2-methyl-4- n-propyl-1,3-oxathiane. 3-Mercaptohexyl butanoate. Pentanoic acid, 3-mercaptohexyl ester.

Find more compounds similar to 3-(Methylthio)hexyl acetate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.