Chemical Properties of 3-Thiophenemalonic acid, tetrahydro-, 1,1-dioxide, diethyl ester (CAS 4785-62-0)

3-Thiophenemalonic acid, tetrahydro-, 1,1-dioxide, diethyl ester

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InChI
InChI=1S/C11H18O6S/c1-3-16-10(12)9(11(13)17-4-2)8-5-6-18(14,15)7-8/h8-9H,3-7H2,1-2H3
InChI Key
ZRZIZOUPRLJLLK-UHFFFAOYSA-N
Formula
C11H18O6S
SMILES
CCOC(=O)C(C(=O)OCC)C1CCS(=O)(=O)C1
Molecular Weight1
278.32
CAS
4785-62-0
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Physical Properties

Property Value Unit Source
ω 0.6445 Relay (... Calculated Property
ΔfG° -853.79 kJ/mol Joback Calculated Property
ΔfH°gas -1119.71 kJ/mol Relay (... Calculated Property
ΔfusH° 31.14 kJ/mol Joback Calculated Property
ΔvapH° 113.20 kJ/mol Relay (... Calculated Property
IE 10.02 eV Relay (... Calculated Property
log10WS -1.64 Relay (... Calculated Property
logPoct/wat 0.163 Crippen Calculated Property
McVol 197.960 ml/mol McGowan Calculated Property
Pc 2884.30 kPa Joback Calculated Property
Tboil 643.34 K Relay (... Calculated Property
Tc 845.20 K Relay (... Calculated Property
Tfus 342.36 K Relay (... Calculated Property
Vc 0.689 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [532.71; 612.60] J/mol×K [645.33; 838.78] Show Hide
Cp,gas 532.71 J/mol×K 645.33 Joback Calculated Property
Cp,gas 548.26 J/mol×K 677.57 Joback Calculated Property
Cp,gas 562.91 J/mol×K 709.81 Joback Calculated Property
Cp,gas 576.67 J/mol×K 742.05 Joback Calculated Property
Cp,gas 589.54 J/mol×K 774.30 Joback Calculated Property
Cp,gas 601.51 J/mol×K 806.54 Joback Calculated Property
Cp,gas 612.60 J/mol×K 838.78 Joback Calculated Property

Similar Compounds

Glyceofuran, TMS. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. RTI 23. Hydromorphone. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Methyldihydromorphine. Hydrocodone. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Moexipril Me. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Acetyldihydrocodeine. Dihydromorphine. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Glyceollin III, TMS.

Find more compounds similar to 3-Thiophenemalonic acid, tetrahydro-, 1,1-dioxide, diethyl ester.

Sources

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