Chemical Properties of 3-Methylhexyl isothiocyanate (CAS 206761-72-0)

3-Methylhexyl isothiocyanate

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InChI
InChI=1S/C8H15NS/c1-3-4-8(2)5-6-9-7-10/h8H,3-6H2,1-2H3
InChI Key
TXKNVIMTEJTWJQ-UHFFFAOYSA-N
Formula
C8H15NS
SMILES
CCCC(C)CCN=C=S
Molecular Weight1
157.28
CAS
206761-72-0
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Physical Properties

Property Value Unit Source
Δfgas 70.34 kJ/mol Joback Calculated Property
Δvap 43.45 kJ/mol Joback Calculated Property
log10WS -2.86 Crippen Calculated Property
logPoct/wat 2.916 Crippen Calculated Property
McVol 141.310 ml/mol McGowan Calculated Property
Pc 2613.74 kPa Joback Calculated Property
Tboil 527.95 K Joback Calculated Property
Tc 740.54 K Joback Calculated Property

Similar Compounds

4-Methylpentyl isothiocyanate. Cyclohexanemethyl isothiocyanate. Butane, 1-isothiocyanato-3-methyl-. Heptane, 1-isothiocyanato-. Hexadecyl isothiocyanate. Nonyl isothiocyanate. Undecyl isothiocyanate. Tetradecyl isothiocyanate. Dodecyl isothiocyanate. Octane, 1-isothiocyanato-. Decyl isothiocyanate. Hexane, 1-isothiocyanato-. 1,8-Octane diisothiocyanate. Isothiocyanic acid, hexamethylene ester. n-Pentyl isothiocyanate.

Find more compounds similar to 3-Methylhexyl isothiocyanate.

Sources

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