Chemical Properties of Isobutyl isothiocyanate (CAS 591-82-2)

Isobutyl isothiocyanate

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InChI
InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChI Key
NSDDRJXKROCWRZ-UHFFFAOYSA-N
Formula
C5H9NS
SMILES
CC(C)CN=C=S
Molecular Weight1
115.20
CAS
591-82-2
Other Names
  • Propane, 1-isothiocyanato-2-methyl-
  • Isothiocyanic acid, isobutyl ester
  • i-Butyl isothiocyanate
  • 2-Methylpropyl isothiocyanate
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Physical Properties

Property Value Unit Source
Δfgas 132.26 kJ/mol Joback Calculated Property
Δvap 36.78 kJ/mol Joback Calculated Property
log10WS -1.61 Crippen Calculated Property
logPoct/wat 1.745 Crippen Calculated Property
McVol 99.040 ml/mol McGowan Calculated Property
Pc 3594.25 kPa Joback Calculated Property
Inp [919.00; 931.00]   Show Hide
Inp 921.00 NIST
Inp 926.00 NIST
Inp 931.00 NIST
Inp 919.00 NIST
Tboil 459.31 K Joback Calculated Property
Tc 682.31 K Joback Calculated Property

Similar Compounds

Propane, 1-isocyanato-2-methyl-. Propane, 1-isothiocyanato-. N-Isobutylformamide. Neopentyl isothiocyanate. 2-hydroxy-3-butenyl isothiocyanate. 2-Methylbutyl isothiocyanate. 3-Methyl-2-butylisothiocyanate. (CH3)2N-CH=N-(2-methylpropyl). Formamidine, 1-isobutyl-3,3-dimethyl. 1,3-Propane diisothiocyanate. N''-Isobutyl-N,N,N',N'-tetramethyl -guanidine. Butane, 1-isothiocyanato-. Isobutylamine. Propane, 1-isocyanato-. trans-methyl-i-butyl-diazene.

Find more compounds similar to Isobutyl isothiocyanate.

Sources

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