Chemical Properties of Thiocyanic acid, butyl ester (CAS 628-83-1)

Thiocyanic acid, butyl ester

InChI
InChI=1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3
InChI Key
HXNXAEYAXNPLHJ-UHFFFAOYSA-N
Formula
C5H9NS
SMILES
CCCCSC#N
Molecular Weight1
115.20
CAS
628-83-1
Other Names
  • 1-Thiocyanatobutane
  • Butyl thiocyanate
  • Butylthiokyanat
  • Butyrhodanid
  • n-Butyl rhodanate
  • n-Butylthiocyanate
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Physical Properties

Property Value Unit Source
ΔfH°gas 53.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.34 kJ/mol Joback Calculated Property
ΔvapH° 50.91 kJ/mol Relay (1.0) Calculated Property
IE 9.70 eV Relay (1.0) Calculated Property
logPoct/wat 2.001 Crippen Calculated Property
McVol 99.040 ml/mol McGowan Calculated Property
Pc 3435.91 kPa Joback Calculated Property
Tboil 446.22 K Relay (1.0) Calculated Property
Tc 638.55 K Relay (1.0) Calculated Property
Tfus 191.49 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [192.80; 238.48] J/mol×K [484.86; 698.48] Show Hide
Cp,gas 192.80 J/mol×K 484.86 Joback Calculated Property
Cp,gas 201.38 J/mol×K 520.46 Joback Calculated Property
Cp,gas 209.57 J/mol×K 556.07 Joback Calculated Property
Cp,gas 217.37 J/mol×K 591.67 Joback Calculated Property
Cp,gas 224.79 J/mol×K 627.27 Joback Calculated Property
Cp,gas 231.82 J/mol×K 662.88 Joback Calculated Property
Cp,gas 238.48 J/mol×K 698.48 Joback Calculated Property

Similar Compounds

Dodecyl thiocyanate. Thiocyanic acid, octyl ester. Butane, 1-(methylthio)-. Butane, 1,1'-thiobis-. Butane, 1-(propylthio)-. Butane, 1-(ethylthio)-. Butane, 1,4-bis(methylthio)-. Butyl tert-butyl sulfide. Ethanethioic acid, S-butyl ester. Butane, 1-[(1-methylethyl)thio]-. Pentane, 1-(methylthio)-. Thiophene, tetrahydro-. 2-[Butylthio]ethanal. Butane, 1,4-bis(ethylthio)-. Butyl isobutyl sulfide.

Find more compounds similar to Thiocyanic acid, butyl ester.

Sources

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