Chemical Properties of Ethanethioic acid S-tert-butyl ester (CAS 999-90-6)

Ethanethioic acid S-tert-butyl ester

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InChI
InChI=1S/C6H12OS/c1-5(7)8-6(2,3)4/h1-4H3
InChI Key
PJFHXBBYLAVSLJ-UHFFFAOYSA-N
Formula
C6H12OS
SMILES
CC(=O)SC(C)(C)C
Molecular Weight1
132.22
CAS
999-90-6
Other Names
  • CH3C(O)SC(CH3)3
  • S-tert-Butyl thioacetate
  • t-Butyl thiolacetate
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Physical Properties

Property Value Unit Source
Δf -93.32 kJ/mol Joback Calculated Property
Δfgas -246.63 kJ/mol Joback Calculated Property
Δfus 9.61 kJ/mol Joback Calculated Property
Δvap [42.90; 42.90] kJ/mol Show Hide
Δvap 42.90 ± 0.20 kJ/mol NIST
Δvap 42.90 ± 0.20 kJ/mol NIST
log10WS -2.10 Crippen Calculated Property
logPoct/wat 2.065 Crippen Calculated Property
McVol 113.320 ml/mol McGowan Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Inp [834.00; 834.00]   Show Hide
Inp 834.00 NIST
Inp 834.00 NIST
Tboil 405.00 ± 4.00 K NIST
Tc 670.46 K Joback Calculated Property
Tfus 244.13 K Joback Calculated Property
Vc 0.420 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [226.34; 288.49] J/mol×K [456.10; 670.46] Show Hide
Cp,gas 226.34 J/mol×K 456.10 Joback Calculated Property
Cp,gas 238.36 J/mol×K 491.83 Joback Calculated Property
Cp,gas 249.68 J/mol×K 527.55 Joback Calculated Property
Cp,gas 260.33 J/mol×K 563.28 Joback Calculated Property
Cp,gas 270.33 J/mol×K 599.01 Joback Calculated Property
Cp,gas 279.71 J/mol×K 634.74 Joback Calculated Property
Cp,gas 288.49 J/mol×K 670.46 Joback Calculated Property

Similar Compounds

Di-tert-butyl sulfide. Ethanethioic acid, S-(1-methylethyl) ester. Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester. Propane, 2-methyl-2-[(1-methylethyl)thio]-. 4,4-Dimethyl thiacyclobutan-2-one. Propane, 2-(ethylthio)-2-methyl-. Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-. Propane, 2-methyl-2-(methylthio)-. Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester. Sulfide, t-butyl-2-chloroethyl. 5,5-dimethyl-4-thia-1-hexyne. Diacetyl sulphide. t-Butyl n-propyl sulfide. Methane, bis(tert-butylthio)-. 4,4-Dimethyl-3-thia-1-pentanethiol.

Find more compounds similar to Ethanethioic acid S-tert-butyl ester.

Sources

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