Chemical Properties of 2-Heptane isothiocyanate (CAS 21663-51-4)

2-Heptane isothiocyanate

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InChI
InChI=1S/C8H15NS/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3
InChI Key
UPTLUDLHIIYPNC-UHFFFAOYSA-N
Formula
C8H15NS
SMILES
CCCCCC(C)N=C=S
Molecular Weight1
157.28
CAS
21663-51-4
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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 -3.22 Crippen Calculated Property
logPoct/wat 3.058 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

2-Octane isothiocyanate. 2-Hexane isothiocyanate. 3-Heptyl isothiocyanate. Cyclododecyl isothiocyanate. Cyclohexane, isothiocyanato-. 2-Pentane isothiocyanate. Cyclopentyl isothiocyanate. Cyclohexane, isocyanato-. Dicyclohexylcarbodiimide. Heptane, 1-isothiocyanato-. Nonyl isothiocyanate. Hexadecyl isothiocyanate. Dodecyl isothiocyanate. Decyl isothiocyanate. Octane, 1-isothiocyanato-.

Find more compounds similar to 2-Heptane isothiocyanate.

Sources

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