Chemical Properties of Butane, 2-isothiocyanato- (CAS 4426-79-3)

Butane, 2-isothiocyanato-

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InChI
InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChI Key
TUFJIDJGIQOYFY-UHFFFAOYSA-N
Formula
C5H9NS
SMILES
CCC(C)N=C=S
Molecular Weight1
115.20
CAS
4426-79-3
Other Names
  • Isothiocyanic acid, sec-butyl ester
  • sec-Butyl Isothiocyanate
  • 2-Butyl isothiocyanate
  • 1-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 -1.96 Crippen Calculated Property
logPoct/wat 1.888 Crippen Calculated Property
McVol 99.040 ml/mol McGowan Calculated Property
Pc 3594.25 kPa Joback Calculated Property
Inp [904.00; 937.00]   Show Hide
Inp 913.00 NIST
Inp 933.30 NIST
Inp 920.00 NIST
Inp 937.00 NIST
Inp 904.00 NIST
Inp 919.00 NIST
Inp 925.00 NIST
Inp 920.00 NIST
Inp 913.00 NIST
I 1287.00 NIST
Tboil 459.31 K Joback Calculated Property
Tc 682.31 K Joback Calculated Property

Similar Compounds

3-Pentane isothiocyanate. 2-Pentane isothiocyanate. 3-Methyl-2-butylisothiocyanate. 2-Hexane isothiocyanate. 2-Heptane isothiocyanate. 2-Octane isothiocyanate. 3-Heptyl isothiocyanate. Cyclopentyl isothiocyanate. Cyclohexane, isothiocyanato-. Cyclododecyl isothiocyanate. (CH3)2N-CH=N-(1-methylpropyl). Butane, 1-isothiocyanato-. n-Pentyl isothiocyanate. (R)-sec-butylamine. sec-Butylamine.

Find more compounds similar to Butane, 2-isothiocyanato-.

Sources

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