Cas no 108122-90-3 (1-Naphthalenecarboxylic acid, 4-butyl-)

1-Naphthalenecarboxylic acid, 4-butyl- structure
108122-90-3 structure
Product Name:1-Naphthalenecarboxylic acid, 4-butyl-
CAS No:108122-90-3
MF:C15H16O2
MW:228.286344528198
CID:1185120
Update Time:2024-08-05

1-Naphthalenecarboxylic acid, 4-butyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxylic acid, 4-butyl-
    • Inchi: 1S/C15H16O2/c1-2-3-6-11-9-10-14(15(16)17)13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3,(H,16,17)
    • InChI Key: IDIKCXJPQWTKAM-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=C2C(C=CC=C2)=C(CCCC)C=C1

Computed Properties

  • Exact Mass: 228.11508

Experimental Properties

  • Density: 1.130±0.06 g/cm3(Predicted)
  • Melting Point: 148-148.5 °C(Solv: water (7732-18-5); ethanol (64-17-5))
  • Boiling Point: 400.7±24.0 °C(Predicted)
  • PSA: 37.3
  • pka: 3.77±0.10(Predicted)

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