Chemical Properties of 2,6-Diethylphenyl isothiocyanate (CAS 25343-69-5)

2,6-Diethylphenyl isothiocyanate

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InChI
InChI=1S/C11H13NS/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-7H,3-4H2,1-2H3
InChI Key
QDPPZHPTDMQNBE-UHFFFAOYSA-N
Formula
C11H13NS
SMILES
CCc1cccc(CC)c1N=C=S
Molecular Weight1
191.29
CAS
25343-69-5
Sources

Physical Properties

Property Value Unit Source
Δfgas 227.29 kJ/mol Joback Calculated Property
Δvap 54.12 kJ/mol Joback Calculated Property
logPoct/wat 3.55 Crippen Calculated Property
Pc 2627.15 kPa Joback Calculated Property
Tboil 633.67 K Joback Calculated Property
Tc 878.48 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 3
-CH2- 2
=C< (ring) 3
-S- 1
-CH3 2

Similar Compounds

2-Ethyl-6-methylphenyl isothiocyanate. 2,6-Diisopropylphenyl isothiocyanate. 2-Ethyl-6-isopropylphenyl isothiocyanate. 2-Ethyl-6-(1-methylpropyl)phenyl isothiocyanate. 2-Isopropylphenyl isothiocyanate. 2,6-Dimethylphenyl isothiocyanate. 2,6-diethylacetanilide. Benzenamine, 2,6-diethyl-. 2,4,6-Trimethylphenyl isothiocyanate. 2-Tert-butyl-6-methylphenyl isocyanate. Benzenamine, 2-ethyl-6-methyl-. 2,6-Diethyl-p-toluidine. 2,4-Dimethylphenyl isothiocyanate. 6-Ethyl-2,4-xylidine. Benzene, 1-isothiocyanato-2-methyl-.

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