Chemical Properties of Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne (CAS 87842-94-2)

InChI

InChI=1S/C19H16/c1-2-4-6-10-16-12-8-14-18-15-9-13-17(19(16)18)11-7-5-3-1/h8-9,12-15H,1-5H2

InChI Key

KMTZDSUZEKFULR-UHFFFAOYSA-N

Formula

C19H16

SMILES

C1#Cc2cccc3cccc(c23)C#CCCCCC1

Molecular Weight¹

244.33

CAS

87842-94-2

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne.

Sources

• 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
• Crippen Method
• McGowan Method
• NIST Webbook

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