Chemical Properties of ETHYL (METHYLTHIO)ACETATE

ETHYL (METHYLTHIO)ACETATE

InChI
InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
InChI Key
MDIAKIHKBBNYHF-UHFFFAOYSA-N
Formula
C5H10O2S
SMILES
CCOC(=O)CSC
Molecular Weight1
134.20
Other Names
  • Ethyl «alpha»(methylthio)acetate
  • Methylthioacetic acid ethyl ester
  • Acetic acid, (methylthio)-, ethyl ester
  • Ethyl 2-(methylthio)acetate
  • Methylsulfanyl-acetic acid ethyl ester
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Physical Properties

Property Value Unit Source
ω 0.4089 Relay (1.0) Calculated Property
ΔfG° -286.03 kJ/mol Joback Calculated Property
ΔfH°gas -436.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 17.21 kJ/mol Joback Calculated Property
ΔvapH° 50.79 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV NIST
log10WS -0.52 Relay (1.0) Calculated Property
logPoct/wat 0.913 Crippen Calculated Property
McVol 105.100 ml/mol McGowan Calculated Property
Pc 3560.02 kPa Joback Calculated Property
Inp [952.00; 1006.00]   Show Hide
Inp Outlier 952.00 NIST
Inp 1006.00 NIST
Inp 981.00 NIST
Inp 990.00 NIST
Inp 979.00 NIST
Inp 989.00 NIST
Inp 990.00 NIST
Inp 981.00 NIST
Inp 996.00 NIST
Inp 989.00 NIST
Inp 979.00 NIST
Inp 981.00 NIST
Ip [1418.00; 1484.00]   Show Hide
Ip 1418.00 NIST
Ip Outlier 1484.00 NIST
Ip 1430.00 NIST
Ip 1452.00 NIST
Ip 1451.00 NIST
Ip 1436.00 NIST
Ip 1447.00 NIST
Ip 1434.00 NIST
Ip 1438.00 NIST
Ip 1418.00 NIST
Ip 1418.00 NIST
Ip 1447.00 NIST
Ip 1439.00 NIST
Ip 1450.00 NIST
Tboil 444.28 K Relay (1.0) Calculated Property
Tc 649.46 K Relay (1.0) Calculated Property
Tfus 230.58 K Relay (1.0) Calculated Property
Vc 0.380 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 344.20 K 3.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [148.39; 311.98] 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 A4.33520e+01
Coefficient B4.18430e-01
Coefficient C-1.13400e-04
Coefficient D-3.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 148.39 J/mol×K 273.00 Calculated Property
Cp,gas 175.58 J/mol×K 353.78 Calculated Property
Cp,gas 200.78 J/mol×K 434.56 Calculated Property
Cp,gas 223.89 J/mol×K 515.33 Calculated Property
Cp,gas 244.78 J/mol×K 596.11 Calculated Property
Cp,gas 263.34 J/mol×K 676.89 Calculated Property
Cp,gas 279.45 J/mol×K 757.67 Calculated Property
Cp,gas 293.01 J/mol×K 838.44 Calculated Property
Cp,gas 303.89 J/mol×K 919.22 Calculated Property
Cp,gas 311.98 J/mol×K 1000.00 Calculated Property

Similar Compounds

Methylenebis(ethyl thioglycolate). Acetic acid, mercapto-, ethyl ester. Methyl 2-(methylthio)acetate. 2-(methylthio)ethyl acetate. Ethanol, 2,2'-thiobis-, diacetate. Acetic acid, 2,2'-thiobis-, dibutyl ester. ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE. 1-OXA-4-THIO-CYCLOHEXAN-2,6-DIONE. bis-(2-Ethoxyethyl) sulfide. Ethyl Acetate. (2-Chloroethylthio)ethyl ethyl ether. Methyl allylthioacetate. 3-(Methylthio)propanoic acid ethyl ester. Acetic acid, chloro-, ethyl ester. ETHYL 1,3-DITHIANE-2-CARBOXYLATE.

Find more compounds similar to ETHYL (METHYLTHIO)ACETATE.

Sources

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