Chemical Properties of 2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans) (CAS 70886-56-5)

2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans)

InChI
InChI=1S/C6H12O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-4H,5-6H2,1-2H3/b4-3+
InChI Key
ROPXCSBPIJQJTK-ONEGZZNKSA-N
Formula
C6H12O6S2
SMILES
CS(=O)(=O)OCC=CCOS(C)(=O)=O
Molecular Weight1
244.29
CAS
70886-56-5
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
ΔfusH° 36.63 kJ/mol Joback Calculated Property
log10WS -2.23 Relay (1.0) Calculated Property
logPoct/wat -0.505 Crippen Calculated Property
McVol 159.020 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy 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 [336.10; 398.98] J/mol×K [481.44; 650.09] Show Hide
Cp,gas 336.10 J/mol×K 481.44 Joback Calculated Property
Cp,gas 347.54 J/mol×K 509.55 Joback Calculated Property
Cp,gas 358.62 J/mol×K 537.66 Joback Calculated Property
Cp,gas 369.32 J/mol×K 565.76 Joback Calculated Property
Cp,gas 379.63 J/mol×K 593.87 Joback Calculated Property
Cp,gas 389.52 J/mol×K 621.98 Joback Calculated Property
Cp,gas 398.98 J/mol×K 650.09 Joback Calculated Property

Similar Compounds

Methanesulfonic acid, ethyl ester. 1,2-Ethanediol dimethanesulphonate. Methanesulfonic acid, 2-chloroethyl ester. Methylsulfonic acid, 2,2,2-trichloroethyl ester. Methanesulfonic acid, butyl ester. Busulfan. Acetic acid, sulfo-, diethyl ester. 1,2-OXATHIOLANE, 2,2-DIOXIDE. Methanesulfonic acid, 1-methylethyl ester. HEXADECYL METHANESULFONATE. Tetradecyl methanesulfonate. 2-Butene-1,4-diol, O-chlorodifluoroacetate-O'-heptafluorobutyrate-. Succinic acid, but-3-yn-2-yl cis-pent-2-en-1-yl ester. D-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Find more compounds similar to 2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans).

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.