Chemical Properties of Thiocyanic acid, ethyl ester (CAS 542-90-5)

Thiocyanic acid, ethyl ester

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InChI
InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
InChI Key
WFCLYEAZTHWNEH-UHFFFAOYSA-N
Formula
C3H5NS
SMILES
CCSC#N
Molecular Weight1
87.14
CAS
542-90-5
Other Names
  • Aethylrhodanid
  • Ethane, thiocyanato-
  • Ethyl rhodanate
  • Ethyl sulfocyanate
  • Ethyl thiocyanate
  • Ethylthiokyanat
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Physical Properties

Property Value Unit Source
Δf 140.68 kJ/mol Joback Calculated Property
Δfgas 101.50 kJ/mol Joback Calculated Property
Δfus 9.16 kJ/mol Joback Calculated Property
Δvap 39.57 kJ/mol Joback Calculated Property
IE [9.77; 9.89] eV Show Hide
IE 9.89 ± 0.01 eV NIST
IE 9.77 ± 0.05 eV NIST
log10WS -1.32 Crippen Calculated Property
logPoct/wat 1.221 Crippen Calculated Property
McVol 70.860 ml/mol McGowan Calculated Property
Pc 4362.63 kPa Joback Calculated Property
Tboil [417.55; 419.20] K Show Hide
Tboil 419.20 K NIST
Tboil 417.55 ± 0.60 K NIST
Tc 658.75 K Joback Calculated Property
Tfus 187.65 ± 0.50 K NIST
Vc 0.283 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [118.51; 148.09] J/mol×K [438.90; 658.75] Show Hide
Cp,gas 118.51 J/mol×K 438.90 Joback Calculated Property
Cp,gas 124.00 J/mol×K 475.54 Joback Calculated Property
Cp,gas 129.27 J/mol×K 512.18 Joback Calculated Property
Cp,gas 134.31 J/mol×K 548.82 Joback Calculated Property
Cp,gas 139.14 J/mol×K 585.47 Joback Calculated Property
Cp,gas 143.73 J/mol×K 622.11 Joback Calculated Property
Cp,gas 148.09 J/mol×K 658.75 Joback Calculated Property
ΔvapH 44.20 kJ/mol 390.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [312.86; 446.13] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38871e+01
Coefficient B-3.09362e+03
Coefficient C-8.53820e+01
Temperature range, min.312.86
Temperature range, max.446.13
Pvap 1.33 kPa 312.86 Calculated Property
Pvap 3.06 kPa 327.67 Calculated Property
Pvap 6.39 kPa 342.48 Calculated Property
Pvap 12.30 kPa 357.28 Calculated Property
Pvap 22.13 kPa 372.09 Calculated Property
Pvap 37.60 kPa 386.90 Calculated Property
Pvap 60.78 kPa 401.71 Calculated Property
Pvap 94.12 kPa 416.51 Calculated Property
Pvap 140.40 kPa 431.32 Calculated Property
Pvap 202.66 kPa 446.13 Calculated Property

Similar Compounds

Ethane, (methylthio)-. Ethyl thioformate. Diethyl sulfide. Ethyl chloromethyl sulfide. Ethanethiol. S-Ethyl ethanethioate. 1-Ethylthio-3-buten-1-yne. Thiirane. 2-[Ethylthio]ethanal. Ethylvinyl sulfide. CH3OC(O)SC2H5. Ethanethioic acid, trifluoro-, S-ethyl ester. Ethane, 1,1'-[methylenebis(thio)]bis-. Propargyl ethyl sulfide. diethyl sulfoxide.

Find more compounds similar to Thiocyanic acid, ethyl ester.

Sources

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