Chemical Properties of Naphthalene, 1-isothiocyanato- (CAS 551-06-4)

InChI

InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

InChI Key

JBDOSUUXMYMWQH-UHFFFAOYSA-N

Formula

C11H7NS

SMILES

S=C=Nc1cccc2ccccc12

Molecular Weight¹

185.25

CAS

551-06-4

Other Names

• 1-Isothiocyanatenaphthalene
• 1-Isothiocyanatonaphthalene
• 1-Naftylisothiokyanat
• 1-Naphthalene isothiocyanate
• 1-Naphthyl Isothiocyanate
• ANI
• ANIT
• Isothiocyanic acid, 1-naphthyl ester
• Kesscocide
• NSC 89741
• Naphthalene, isothiocyanato-
• «alpha»-Naphthyl isothiocyanate
• «alpha»-Naphthysothiocyanate

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Naphthalene, 1-isothiocyanato-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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