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

Thiocyanic acid, butyl ester

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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
  • Butyl thiocyanate
  • 1-Thiocyanatobutane
  • n-Butylthiocyanate
  • n-Butyl rhodanate
  • Butyrhodanid
  • Butylthiokyanat
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Physical Properties

Property Value Unit Source
Δf 157.52 kJ/mol Joback Calculated Property
Δfgas 60.22 kJ/mol Joback Calculated Property
Δfus 14.34 kJ/mol Joback Calculated Property
Δvap 44.02 kJ/mol Joback Calculated Property
IE 9.64 ± 0.05 eV NIST
log10WS -2.16 Crippen 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 484.66 K Joback Calculated Property
Tc 698.19 K Joback Calculated Property
Tfus 245.50 K Joback Calculated Property
Vc 0.396 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [192.75; 238.43] J/mol×K [484.66; 698.19] Show Hide
Cp,gas 192.75 J/mol×K 484.66 Joback Calculated Property
Cp,gas 201.33 J/mol×K 520.25 Joback Calculated Property
Cp,gas 209.52 J/mol×K 555.84 Joback Calculated Property
Cp,gas 217.32 J/mol×K 591.43 Joback Calculated Property
Cp,gas 224.73 J/mol×K 627.01 Joback Calculated Property
Cp,gas 231.77 J/mol×K 662.60 Joback Calculated Property
Cp,gas 238.43 J/mol×K 698.19 Joback Calculated Property

Similar Compounds

Thiocyanic acid, octyl ester. Dodecyl thiocyanate. Butane, 1-(methylthio)-. Butyl sulfide. 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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