Chemical Properties of ACETIC ACID, (METHYLTHIO)-

ACETIC ACID, (METHYLTHIO)-

InChI
InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key
HGTBAIVLETUVCG-UHFFFAOYSA-N
Formula
C3H6O2S
SMILES
CSCC(=O)O
Molecular Weight1
106.15
Other Names
  • (methylthio)acetic acid
  • 2-Methylthioacetic acid
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Physical Properties

Property Value Unit Source
ω 0.5993 Relay (1.0) Calculated Property
ΔfG° -336.41 kJ/mol Joback Calculated Property
ΔfH°gas -424.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.80 kJ/mol Joback Calculated Property
ΔvapH° 64.82 kJ/mol Relay (1.0) Calculated Property
IE 8.98 eV Relay (1.0) Calculated Property
logPoct/wat 0.434 Crippen Calculated Property
McVol 76.920 ml/mol McGowan Calculated Property
Pc 5102.04 kPa Joback Calculated Property
Tboil 492.64 K Relay (1.0) Calculated Property
Tc 725.00 K Relay (1.0) Calculated Property
Tfus 287.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.265 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 403.70 K 3.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [103.25; 211.47] 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 A2.43610e+01
Coefficient B3.34010e-01
Coefficient C-1.71800e-04
Coefficient D2.49000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 103.25 J/mol×K 273.00 Calculated Property
Cp,gas 122.13 J/mol×K 353.78 Calculated Property
Cp,gas 139.11 J/mol×K 434.56 Calculated Property
Cp,gas 154.27 J/mol×K 515.33 Calculated Property
Cp,gas 167.69 J/mol×K 596.11 Calculated Property
Cp,gas 179.46 J/mol×K 676.89 Calculated Property
Cp,gas 189.64 J/mol×K 757.67 Calculated Property
Cp,gas 198.31 J/mol×K 838.44 Calculated Property
Cp,gas 205.56 J/mol×K 919.22 Calculated Property
Cp,gas 211.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Methyl 2-(methylthio)acetate. Acetic acid, (2-propenylthio)-. Acetic acid, sulfonyldi-. Acetic acid, mercapto-. 1-OXA-4-THIO-CYCLOHEXAN-2,6-DIONE. Ethanol, 2-(methylthio)-. methylthioacetaldehyde. ETHYL (METHYLTHIO)ACETATE. Acetic acid, 2,2'-thiobis-, bis(trimethylsilyl) ester. Methylthio-2-propanone. Thiodiglycol. Ethanol, 2-(methylthio)methylthio. Ethanol, 2-(ethylthio)-. 2-[Ethylthio]ethanal. (Methylthio)-acetonitrile.

Find more compounds similar to ACETIC ACID, (METHYLTHIO)-.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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