Chemical Properties of 2-Octane isothiocyanate (CAS 69626-80-8)

2-Octane isothiocyanate

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InChI
InChI=1S/C9H17NS/c1-3-4-5-6-7-9(2)10-8-11/h9H,3-7H2,1-2H3
InChI Key
RXAAZXUXIQEORL-UHFFFAOYSA-N
Formula
C9H17NS
SMILES
CCCCCCC(C)N=C=S
Molecular Weight1
171.30
CAS
69626-80-8
Sources

Physical Properties

Property Value Unit Source
Δfgas 49.70 kJ/mol Joback Calculated Property
Δvap 45.68 kJ/mol Joback Calculated Property
logPoct/wat 3.45 Crippen Calculated Property
Pc 2374.90 kPa Joback Calculated Property
Tboil 550.83 K Joback Calculated Property
Tc 760.02 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=C= 1
-N= 1
-CH2- 5
-S- 1
-CH3 2

Similar Compounds

2-Heptane isothiocyanate. Cyclododecyl isothiocyanate. 2-Hexane isothiocyanate. Cyclohexane, isothiocyanato-. 3-Heptyl isothiocyanate. Undecyl isothiocyanate. Octane, 1-isothiocyanato-. 1,8-Octane diisothiocyanate. Nonyl isothiocyanate. Dodecyl isothiocyanate. 2-Pentane isothiocyanate. Decyl isothiocyanate. Tetradecyl isothiocyanate. Hexadecyl isothiocyanate. N-heptylisothiocyanate.

Find more compounds similar to 2-Octane isothiocyanate.

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