Chemical Properties of 2-Heptanone, 6-methyl-5,6-bis-(methylthio)

2-Heptanone, 6-methyl-5,6-bis-(methylthio)

InChI
InChI=1S/C10H20OS2/c1-8(11)6-7-9(12-4)10(2,3)13-5/h9H,6-7H2,1-5H3
InChI Key
UMXGLMGMLUBWGC-UHFFFAOYSA-N
Formula
C10H20OS2
SMILES
CSC(CCC(C)=O)C(C)(C)SC
Molecular Weight1
220.40
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
Δfus 20.58 kJ/mol Joback Calculated Property
IE 8.19 eV Relay (1.0) Calculated Property
log10WS -1.42 Relay (1.0) Calculated Property
logPoct/wat 3.229 Crippen Calculated Property
McVol 186.030 ml/mol McGowan Calculated Property
Inp 1596.00 NIST
Tboil 548.45 K Relay (1.0) Calculated Property
Tfus 269.81 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [459.52; 540.83] J/mol×K [616.16; 840.47] Show Hide
Cp,gas 459.52 J/mol×K 616.16 Joback Calculated Property
Cp,gas 475.54 J/mol×K 653.55 Joback Calculated Property
Cp,gas 490.53 J/mol×K 690.93 Joback Calculated Property
Cp,gas 504.51 J/mol×K 728.32 Joback Calculated Property
Cp,gas 517.53 J/mol×K 765.70 Joback Calculated Property
Cp,gas 529.63 J/mol×K 803.09 Joback Calculated Property
Cp,gas 540.83 J/mol×K 840.47 Joback Calculated Property

Similar Compounds

Cyclohexane, 1-methyl-4-(1-methylethyl)-1,2-bis-(methylthio). Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio). Bicyclo[3.1.1]heptane, 2,6,6-trimethyl, 2,3-bis-(methylthio). Nonane, 2,3-bis-(methylthio), erythro. Cyclohexane, trans-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio). Cyclohexane, cis-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio). Undecane, 3,4-bis-(methylthio), erythro. Nonane, 3,4-bis-(methylthio), erythro. Nonane, 4,5-bis-(methylthio), erythro. Hexane, 2,3-bis-(methylthio), erythro. Hexane, 2,3-bis-(methylthio), threo. Hexadecane, 2-methyl-1,2-bis(methylthio). Bicyclo[3.3.1]heptane, 6,6-dimethyl-2,7-bis-(methylthio). Cyclohexane, 1,2-bis-(methylthio), trans. 2-Cyclohexen-1-one, 2-methyl-5-[1-methyl-1,2-bis-(methylthio)ethyl].

Find more compounds similar to 2-Heptanone, 6-methyl-5,6-bis-(methylthio).

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.
These property values are available through the Cheméo API. A free account gives you an access key.