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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• 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

Similar Compounds

Find more compounds similar to Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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