Chemical Properties of Octane, 1-isothiocyanato- (CAS 4430-45-9)

Octane, 1-isothiocyanato-

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InChI
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChI Key
YEZHGQZHWKJPCM-UHFFFAOYSA-N
Formula
C9H17NS
SMILES
CCCCCCCCN=C=S
Molecular Weight1
171.30
CAS
4430-45-9
Other Names
  • Isothiocyanic acid, octyl ester
  • n-Octyl isothiocyanate
  • Octyl isothiocyanate
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Physical Properties

Property Value Unit Source
Δfgas 54.98 kJ/mol Joback Calculated Property
Δvap 46.07 kJ/mol Joback Calculated Property
log10WS -3.52 Crippen Calculated Property
logPoct/wat 3.450 Crippen Calculated Property
McVol 155.400 ml/mol McGowan Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Inp [1354.00; 1367.60]   Show Hide
Inp 1367.60 NIST
Inp 1354.00 NIST
Inp 1367.60 NIST
I [1764.00; 1764.00]   Show Hide
I 1764.00 NIST
I 1764.00 NIST
Tboil 551.27 K Joback Calculated Property
Tc 756.06 K Joback Calculated Property

Similar Compounds

Undecyl isothiocyanate. Hexadecyl isothiocyanate. Dodecyl isothiocyanate. Decyl isothiocyanate. Nonyl isothiocyanate. Tetradecyl isothiocyanate. Heptane, 1-isothiocyanato-. Hexane, 1-isothiocyanato-. 1,8-Octane diisothiocyanate. Isothiocyanic acid, hexamethylene ester. n-Pentyl isothiocyanate. Octadecane, 1-isocyanato-. Dodecane, 1-isocyanato-. Octane, 1-isocyanato-. n-Heptyl isocyanate.

Find more compounds similar to Octane, 1-isothiocyanato-.

Sources

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