Chemical Properties of S-Methyl 3-methylbutanethioate (CAS 23747-45-7)

S-Methyl 3-methylbutanethioate

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChI Key
MPLWTJZAFOVXKP-UHFFFAOYSA-N
Formula
C6H12OS
SMILES
CSC(=O)CC(C)C
Molecular Weight1
132.22
CAS
23747-45-7
Other Names
  • Butanethioic acid, 3-methyl-, S-methyl ester
  • S-methyl thioisovalerate
  • Methanethiol isovalerate
  • S-methyl thio-3-methylbutyrate
  • S-Methyl thio-3-methylbutanoate
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 -98.60 kJ/mol Joback Calculated Property
Δfgas -243.16 kJ/mol Joback Calculated Property
Δfus 13.50 kJ/mol Joback Calculated Property
Δvap 42.12 kJ/mol Joback Calculated Property
log10WS -1.75 Crippen Calculated Property
logPoct/wat 1.922 Crippen Calculated Property
McVol 113.320 ml/mol McGowan Calculated Property
Pc 3435.91 kPa Joback Calculated Property
Inp [913.00; 938.00]   Show Hide
Inp 938.00 NIST
Inp 923.00 NIST
Inp 938.00 NIST
Inp 913.00 NIST
Inp 921.00 NIST
I [1225.00; 1225.00]   Show Hide
I 1225.00 NIST
I 1225.00 NIST
Tboil 458.89 K Joback Calculated Property
Tc 664.31 K Joback Calculated Property
Tfus 226.71 K Joback Calculated Property
Vc 0.425 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [223.57; 283.32] J/mol×K [458.89; 664.31] Show Hide
Cp,gas 223.57 J/mol×K 458.89 Joback Calculated Property
Cp,gas 234.76 J/mol×K 493.13 Joback Calculated Property
Cp,gas 245.45 J/mol×K 527.36 Joback Calculated Property
Cp,gas 255.64 J/mol×K 561.60 Joback Calculated Property
Cp,gas 265.35 J/mol×K 595.83 Joback Calculated Property
Cp,gas 274.58 J/mol×K 630.07 Joback Calculated Property
Cp,gas 283.32 J/mol×K 664.31 Joback Calculated Property

Similar Compounds

Butanethioic acid, S-methyl ester. S-Methyl thio-4-methylpentanoate. Ethyl thiobutyrate. S-Methyl pentanethioate. S-Methyl 2-methylbutanethioate. Heptanethioic acid, S-methyl ester. Octanethioic acid, S-methyl ester. S-methylthiodecanoate. Hexanethioic acid, S-methyl ester. isobutyl thiobutyrate. n-propyl thiobutyrate. Pentanethioic acid, S-ethyl ester. Butanethioic acid, S-butyl ester. Butane, 3-methyl-1-(methylthio)-. isopropyl thiobutyrate.

Find more compounds similar to S-Methyl 3-methylbutanethioate.

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.