Chemical Properties of 1-Naphthalenemethyl isothiocyanate (CAS 17112-82-2)

1-Naphthalenemethyl isothiocyanate

InChI
InChI=1S/C12H9NS/c14-9-13-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChI Key
JJMDUNWYBZCIKZ-UHFFFAOYSA-N
Formula
C12H9NS
SMILES
S=C=NCc1cccc2ccccc12
Molecular Weight1
199.27
CAS
17112-82-2
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Physical Properties

Property Value Unit Source
ω 0.4344 Relay (1.0) Calculated Property
ΔfG° 362.65 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 335.97 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 81.71 kJ/mol Relay (1.0) Calculated Property
IE 7.92 eV Relay (1.0) Calculated Property
log10WS -4.54 Relay (1.0) Calculated Property
logPoct/wat 3.443 Crippen Calculated Property
McVol 154.450 ml/mol McGowan Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Tboil 598.93 K Relay (1.0) Calculated Property
Tc 877.43 K Relay (1.0) Calculated Property
Tfus 344.57 K Relay (1.0) Calculated Property
Vc 0.536 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Naphthalenemethanamine. Benzene, (isothiocyanatomethyl)-. 1-Naphthylmethyl radical. 3-Methylbenzyl isothiocyanate. Naphthalene, 1-methyl-. Naphthalene, 1,6-dimethyl-. 4,12-Dimethylbenz[a]anthracene. Chrysene, 1-methyl-. Phenanthrene, 1-methyl-. Benzo[c]phenanthrene, 4-methyl-. Benz[a]anthracene, 4-methyl-. Phenanthrene, 3,10-dimethyl. Benz(a)anthracene, 4,7-dimethyl-. Phenanthrene, 4,9-dimethyl-. Phenanthrene, 2,9-dimethyl-.

Find more compounds similar to 1-Naphthalenemethyl isothiocyanate.

Sources

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