Chemical Properties of Ethanethioic acid, (methylthio)-s-ethyl ester

Ethanethioic acid, (methylthio)-s-ethyl ester

InChI
InChI=1S/C5H10OS2/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
InChI Key
SQROSXWNNSGURE-UHFFFAOYSA-N
Formula
C5H10OS2
SMILES
CCSC(=O)CSC
Molecular Weight1
150.27
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Physical Properties

Property Value Unit Source
ΔfH°gas -214.35 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.57 kJ/mol Joback Calculated Property
ΔvapH° 53.69 kJ/mol Relay (1.0) Calculated Property
IE 8.62 eV NIST
logPoct/wat 1.629 Crippen Calculated Property
McVol 115.580 ml/mol McGowan Calculated Property
Pc 3901.37 kPa Joback Calculated Property
Tboil 469.11 K Relay (1.0) Calculated Property
Tc 697.90 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [153.48; 319.48] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.49020e+01
Coefficient B4.39620e-01
Coefficient C-1.49100e-04
Coefficient D-1.59400e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 153.48 J/mol×K 273.00 Calculated Property
Cp,gas 181.06 J/mol×K 353.78 Calculated Property
Cp,gas 206.48 J/mol×K 434.56 Calculated Property
Cp,gas 229.68 J/mol×K 515.33 Calculated Property
Cp,gas 250.61 J/mol×K 596.11 Calculated Property
Cp,gas 269.22 J/mol×K 676.89 Calculated Property
Cp,gas 285.46 J/mol×K 757.67 Calculated Property
Cp,gas 299.29 J/mol×K 838.44 Calculated Property
Cp,gas 310.64 J/mol×K 919.22 Calculated Property
Cp,gas 319.48 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-dithiaheptane. Diethyl dithiol oxalate. S-Ethyl ethanethioate. 1,2-Bis(ethylthio)ethane. 2-methyl-3,6-dithiaheptane. 1,4,7,10-Tetrathiacyclododecane. 1,4-Dithiane. 2-[Ethylthio]ethanal. 3,6-dithianonane. 2,5-dithiaoctane. Ethane, 1,2-bis(isopropylthio)-. 3-Thia-1-pentanethiol. Thiopropionic acid, S-ethyl ester. Bis[(2-chloroethyltyio)ethyl] sulfide. Sesquimustard.

Find more compounds similar to Ethanethioic acid, (methylthio)-s-ethyl ester.

Sources

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