Chemical Properties of 2-Naphthylthioacetonitrile (CAS 5324-69-6)

2-Naphthylthioacetonitrile

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InChI
InChI=1S/C12H9NS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2
InChI Key
PFMHSJMACRLMEX-UHFFFAOYSA-N
Formula
C12H9NS
SMILES
N#CCSc1ccc2ccccc2c1
Molecular Weight1
199.27
CAS
5324-69-6
Sources

Physical Properties

Property Value Unit Source
Δf 425.89 kJ/mol Joback Calculated Property
Δfgas 331.87 kJ/mol Joback Calculated Property
Δfus 23.14 kJ/mol Joback Calculated Property
Δvap 64.18 kJ/mol Joback Calculated Property
logPoct/wat 3.46 Crippen Calculated Property
Pc 3028.94 kPa Joback Calculated Property
Tboil 695.46 K Joback Calculated Property
Tc 958.30 K Joback Calculated Property
Tfus 396.03 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 366.69 J/mol×K 695.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-S- 1
=CH- (ring) 7
-CH2- 1
=C< (ring) 3

Similar Compounds

2-Naphthalenethiol. Naphthalene, 1,4-bis(methylthio)-. Benzene, (ethylthio)-. 1-Naphthalenethiol. 1,2-Bis(phenylthio)ethane. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Phenyl propargyl sulfide. Benzene, (propylthio)-. Allylphenyl sulfide. 2-Phenylnaphthylsulfide. Benzene, (2-butenylthio)-, (Z)-. trans-1-(Phenylthio)-2-butene. 2-Naphthyldisulfide. Benzene, [(1,1-dimethylethyl)thio]-.

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