Chemical Properties of Thiocyanic acid, methyl ester (CAS 556-64-9)

Thiocyanic acid, methyl ester

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InChI
InChI=1S/C2H3NS/c1-4-2-3/h1H3
InChI Key
VYHVQEYOFIYNJP-UHFFFAOYSA-N
Formula
C2H3NS
SMILES
CSC#N
Molecular Weight1
73.12
CAS
556-64-9
Other Names
  • CH3SCN
  • Methane, thiocyanato-
  • Methyl sulfocyanate
  • Methyl thiocyanate
  • Methylrhodanid
  • Methylthiokyanat
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Physical Properties

Property Value Unit Source
PAff 796.70 kJ/mol NIST
BasG 766.10 kJ/mol NIST
Δf 132.26 kJ/mol Joback Calculated Property
Δfgas 122.14 kJ/mol Joback Calculated Property
Δfus 6.57 kJ/mol Joback Calculated Property
Δvap 37.34 kJ/mol Joback Calculated Property
IE [9.96; 10.07] eV Show Hide
IE 9.96 ± 0.05 eV NIST
IE 10.07 ± 0.01 eV NIST
IE 9.96 ± 0.05 eV NIST
log10WS -0.91 Crippen Calculated Property
logPoct/wat 0.830 Crippen Calculated Property
McVol 56.770 ml/mol McGowan Calculated Property
Pc 4973.33 kPa Joback Calculated Property
Inp [661.00; 723.00]   Show Hide
Inp 661.00 NIST
Inp 723.00 NIST
Inp 665.00 NIST
Inp 711.00 NIST
Inp 693.00 NIST
Inp 665.00 NIST
Inp 661.00 NIST
I [1266.00; 1295.00]   Show Hide
I 1276.00 NIST
I 1276.00 NIST
I 1274.00 NIST
I 1266.00 NIST
I 1278.00 NIST
I 1295.00 NIST
I 1295.00 NIST
Tboil 404.20 K NIST
Tc 638.81 K Joback Calculated Property
Tfus 218.65 ± 0.50 K NIST
Vc 0.228 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [84.92; 105.07] J/mol×K [416.02; 638.81] Show Hide
Cp,gas 84.92 J/mol×K 416.02 Joback Calculated Property
Cp,gas 88.60 J/mol×K 453.15 Joback Calculated Property
Cp,gas 92.15 J/mol×K 490.28 Joback Calculated Property
Cp,gas 95.58 J/mol×K 527.42 Joback Calculated Property
Cp,gas 98.88 J/mol×K 564.55 Joback Calculated Property
Cp,gas 102.05 J/mol×K 601.68 Joback Calculated Property
Cp,gas 105.07 J/mol×K 638.81 Joback Calculated Property
ΔvapH 40.70 kJ/mol 332.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [294.33; 433.51] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46921e+01
Coefficient B-3.74338e+03
Coefficient C-3.44520e+01
Temperature range, min.294.33
Temperature range, max.433.51
Pvap 1.33 kPa 294.33 Calculated Property
Pvap 2.99 kPa 309.79 Calculated Property
Pvap 6.17 kPa 325.26 Calculated Property
Pvap 11.82 kPa 340.72 Calculated Property
Pvap 21.27 kPa 356.19 Calculated Property
Pvap 36.26 kPa 371.65 Calculated Property
Pvap 59.00 kPa 387.12 Calculated Property
Pvap 92.15 kPa 402.58 Calculated Property
Pvap 138.85 kPa 418.05 Calculated Property
Pvap 202.66 kPa 433.51 Calculated Property

Similar Compounds

Methane-d3,(methylthio). Dimethyl sulfide. Chloromethyl thiocyanate. MeS anion. Thiocyanic acid, methylene ester. Carbonochloridothioic acid, S-methyl ester. Methanesulfenylchloride. Methanethiol. Methylsulfenyliodide. Dimethylsulfoxide-D6. Dimethyl Sulfoxide. Iodomethyl methyl sulfide. CH3SBrCH2. Chloromethylmethyl sulfide. Carbonodithioic acid, S,S-dimethyl ester.

Find more compounds similar to Thiocyanic acid, methyl ester.

Sources

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