Chemical Properties of ETHYL 1,3-DITHIANE-2-CARBOXYLATE

ETHYL 1,3-DITHIANE-2-CARBOXYLATE

InChI
InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChI Key
ANEDZEVDORCLPM-UHFFFAOYSA-N
Formula
C7H12O2S2
SMILES
CCOC(=O)C1SCCCS1
Molecular Weight1
192.31
Other Names
  • Carboethoxy-1,3-dithiane
  • 2-Carboethoxy-1,3-dithiane
  • 1,3-Dithiane-2-carboxylic acid ethyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 15.82 kJ/mol Joback Calculated Property
logPoct/wat 1.746 Crippen Calculated Property
McVol 138.770 ml/mol McGowan Calculated Property
Tboil 541.45 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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 [309.85; 385.36] J/mol×K [551.06; 792.65] Show Hide
Cp,gas 309.85 J/mol×K 551.06 Joback Calculated Property
Cp,gas 324.68 J/mol×K 591.32 Joback Calculated Property
Cp,gas 338.59 J/mol×K 631.59 Joback Calculated Property
Cp,gas 351.60 J/mol×K 671.85 Joback Calculated Property
Cp,gas 363.72 J/mol×K 712.12 Joback Calculated Property
Cp,gas 374.97 J/mol×K 752.38 Joback Calculated Property
Cp,gas 385.36 J/mol×K 792.65 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 349.20 K 0.03 NIST

Similar Compounds

ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE. 1,3-Dithiane, 2-methyl-. 2-Ethyl[1,3]dithiane. S-Carboxymethyl-L-cysteine, N-dimethylaminomethylene, diethyl ester. L-rhamnose, acetylated diethyldithioacetal derivative. L-fucose, acetylated diethyldithioacetal derivative. 2,4-Dimethyl-1,3-dithiane. L-arabinose, acetylated diethyldithioacetal derivative. D-xylose, acetylated diethyldithioacetal derivative. D-mannose, acetylated diethyldithioacetal derivative. D-glucose, acetylated diethyldithioacetal derivative. D-galactose, acetylated diethyldithioacetal derivative. L-Mannose, 6-deoxy-, dioctyl mercaptal. L-ARABINOSE, DIHEXYL MERCAPTAL. D-GLUCOSE, DIHEXYL MERCAPTAL.

Find more compounds similar to ETHYL 1,3-DITHIANE-2-CARBOXYLATE.

Sources

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