Chemical Properties of Acetic acid, mercapto-, ethyl ester (CAS 623-51-8)

Acetic acid, mercapto-, ethyl ester

InChI
InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
InChI Key
PVBRSNZAOAJRKO-UHFFFAOYSA-N
Formula
C4H8O2S
SMILES
CCOC(=O)CS
Molecular Weight1
120.17
CAS
623-51-8
Other Names
  • Acetic acid, 2-mercapto-, ethyl ester
  • Ethyl 2-mercaptoacetate
  • Ethyl mercaptoacetate
  • Ethyl thioglycolate
  • Ethyl thioglycollate
  • Ethyl «alpha»-mercaptoacetate
  • Mercaptoacetic acid ethyl ester
  • NSC 8834
  • Thioglycolic acid ethyl ester
  • Thioglykolsaeure-aethylester
  • USAF EK-2070
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Physical Properties

Property Value Unit Source
ω 0.4517 Relay (1.0) Calculated Property
ΔfG° -298.18 kJ/mol Joback Calculated Property
ΔfH°gas -421.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.53 kJ/mol Joback Calculated Property
ΔvapH° 47.52 kJ/mol Relay (1.0) Calculated Property
IE 9.67 eV Relay (1.0) Calculated Property
log10WS -0.53 Relay (1.0) Calculated Property
logPoct/wat 0.479 Crippen Calculated Property
McVol 91.010 ml/mol McGowan Calculated Property
Pc 4255.16 kPa Joback Calculated Property
Tboil 430.20 K NIST
Tc 651.85 K Relay (1.0) Calculated Property
Tfus 193.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.324 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [327.20; 328.20] K [1.60; 2.30] Show Hide
Tboilr 327.20 K 1.60 NIST
Tboilr 328.20 K 2.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [127.46; 259.17] 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 A3.95520e+01
Coefficient B3.56320e-01
Coefficient C-1.21600e-04
Coefficient D-1.51000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 127.46 J/mol×K 273.00 Calculated Property
Cp,gas 149.72 J/mol×K 353.78 Calculated Property
Cp,gas 170.19 J/mol×K 434.56 Calculated Property
Cp,gas 188.82 J/mol×K 515.33 Calculated Property
Cp,gas 205.55 J/mol×K 596.11 Calculated Property
Cp,gas 220.34 J/mol×K 676.89 Calculated Property
Cp,gas 233.15 J/mol×K 757.67 Calculated Property
Cp,gas 243.92 J/mol×K 838.44 Calculated Property
Cp,gas 252.61 J/mol×K 919.22 Calculated Property
Cp,gas 259.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

ETHYL (METHYLTHIO)ACETATE. Acetic acid, 2-mercaptoethyl ester. Acetic acid, mercapto-, methyl ester. Ethyl Acetate. Methylenebis(ethyl thioglycolate). Propanoic acid, 2-mercapto-, ethyl ester. Acetic acid, bromo-, ethyl ester. Ethyl cyanoacetate. Acetic acid, chloro-, ethyl ester. Pentaerythritol, tetrakis(mercaptoacetate). 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(mercaptoacetae). Acetic acid, iodo-, ethyl ester. Acetic acid, fluoro-, ethyl ester. 2-Mercaptoethyl ether. 2-(methylthio)ethyl acetate.

Find more compounds similar to Acetic acid, mercapto-, ethyl ester.

Sources

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