Chemical Properties of Propionic acid, 2-benzamido-3,3'-thiodi-, diethyl ester

Propionic acid, 2-benzamido-3,3'-thiodi-, diethyl ester

InChI
InChI=1S/C17H23NO5S/c1-3-22-15(19)10-11-24-12-14(17(21)23-4-2)18-16(20)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,18,20)
InChI Key
XAJHKKNIXXMYJX-UHFFFAOYSA-N
Formula
C17H23NO5S
SMILES
CCOC(=O)CCSCC(NC(=O)c1ccccc1)C(=O)OCC
Molecular Weight1
353.44
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
ω 0.8432 Relay (1.0) Calculated Property
ΔfusH° 49.87 kJ/mol Joback Calculated Property
ΔvapH° 111.31 kJ/mol Relay (1.0) Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
log10WS -2.93 Relay (1.0) Calculated Property
logPoct/wat 2.035 Crippen Calculated Property
McVol 269.410 ml/mol McGowan Calculated Property
Pc 1724.59 kPa Joback Calculated Property
Tboil 670.46 K Relay (1.0) Calculated Property
Tc 892.27 K Relay (1.0) Calculated Property
Tfus 325.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [819.88; 868.51] J/mol×K [904.06; 1124.24] Show Hide
Cp,gas 819.88 J/mol×K 904.06 Joback Calculated Property
Cp,gas 831.42 J/mol×K 940.76 Joback Calculated Property
Cp,gas 841.56 J/mol×K 977.45 Joback Calculated Property
Cp,gas 850.32 J/mol×K 1014.15 Joback Calculated Property
Cp,gas 857.71 J/mol×K 1050.85 Joback Calculated Property
Cp,gas 863.77 J/mol×K 1087.55 Joback Calculated Property
Cp,gas 868.51 J/mol×K 1124.24 Joback Calculated Property

Similar Compounds

l-Cysteine, N,S-bis(2,3,4-trifluorobenzoyl)-, methyl ester. l-Cysteine, N,S-bis(2-fluorobenzoyl )-, methyl ester. l-Cysteine, N,S-bis(3-fluorobenzoyl)-, methyl ester. L-Cysteine, N,S-bis(o-anisoyl)-, methyl ester. Retroisosenine. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Retroisosensine. Zinc octaethylporphyrin chloride. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. mexazolam. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Thebaine. Ergocristine. Dehydrojaconine. PACLITAXEL.

Find more compounds similar to Propionic acid, 2-benzamido-3,3'-thiodi-, diethyl ester.

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.