Chemical Properties of Dimethyl 3-thiaadipate (CAS 7400-45-5)

Dimethyl 3-thiaadipate

PDF Excel Molecule Calculator
InChI
InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
InChI Key
XNDKLLFGXIEGKL-UHFFFAOYSA-N
Formula
C7H12O4S
SMILES
COC(=O)CCSCC(=O)OC
Molecular Weight1
192.23
CAS
7400-45-5
Other Names
  • Propanoic acid, 3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
  • Methyl 3-(methoxycarbonylmethylthio)propionate
  • Propanoic acid, 3-(carbomethoxymethylthio)-, methyl ester
  • Propanoic acid, 3-(((methoxycarbonyl)methyl)thio)-, methyl ester
  • methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate
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 -426.66 kJ/mol Joback Calculated Property
Δfgas -635.54 kJ/mol Joback Calculated Property
Δfus 23.59 kJ/mol Joback Calculated Property
Δvap 56.31 kJ/mol Joback Calculated Property
log10WS -0.36 Crippen Calculated Property
logPoct/wat 0.456 Crippen Calculated Property
McVol 140.720 ml/mol McGowan Calculated Property
Pc 3152.62 kPa Joback Calculated Property
Tboil 580.92 K Joback Calculated Property
Tc 784.42 K Joback Calculated Property
Tfus 347.37 K Joback Calculated Property
Vc 0.529 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [325.49; 383.55] J/mol×K [580.92; 784.42] Show Hide
Cp,gas 325.49 J/mol×K 580.92 Joback Calculated Property
Cp,gas 336.44 J/mol×K 614.84 Joback Calculated Property
Cp,gas 346.91 J/mol×K 648.75 Joback Calculated Property
Cp,gas 356.88 J/mol×K 682.67 Joback Calculated Property
Cp,gas 366.32 J/mol×K 716.58 Joback Calculated Property
Cp,gas 375.21 J/mol×K 750.50 Joback Calculated Property
Cp,gas 383.55 J/mol×K 784.42 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 414.50 ± 0.50 K 1.70 NIST

Similar Compounds

Propanoic acid, 3,3'-thiobis-, dimethyl ester. 3-(Methylthio)propanoic acid methyl ester. 3-(Methylthio)propanoic acid ethyl ester. propyl 3-(methylthio)propionate. isobutyl 3-(methylthio)propanoate. butyl 3-(methylthio)propanoate. S-carbethoxymethyl-L-cysteine, N-dimethylaminomethylene-, dimethyl ester. Propionic acid, 3,3'-sulfonyldi-, dibutyl ester. Propanoic acid, 3,3'-thiobis-, didodecyl ester. Thiodipropionic acid. (Z)-3-hexenyl 3-(methylthio)propanoate. 3-methylbutyl 3-(methylthio)propanoate. sec-butyl 3-(methylthio)propanoate. S-Carboxymethyl-L-cysteine, N-dimethylaminomethylene, diethyl ester. Propionic acid, 3-(allylthio)-.

Find more compounds similar to Dimethyl 3-thiaadipate.

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.