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Cyclobutanecarboxaldehyde

  • Name Cyclobutanecarboxaldehyde
  • EINECSN/A
  • CAS No. 2987-17-9
  • Density1.085 g/cm3
  • PSA17.07000
  • LogP0.98540
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H8O
  • Boiling Point105.412 °C at 760 mmHg
  • Molecular Weight84.1179
  • Flash Point22.844 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2987-17-9 (Cyclobutanecarboxaldehyde)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

Cyclobutanecarboxaldehyde Specification

The CAS register number of Cyclobutanecarboxaldehyde is 2987-17-9. It also can be called as Cyclobutylcarboxaldehyde and the IUPAC name about this chemical is cyclobutanecarbaldehyde. The molecular formula about this chemical is C5H8O and the molecular weight is 84.12. It belongs to the API intermediates.

Physical properties about Cyclobutanecarboxaldehyde are: (1)ACD/LogP: 0.81; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 63; (7)ACD/KOC (pH 7.4): 63; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 25.056 cm3; (14)Molar Volume: 77.554 cm3; (15)Polarizability: 9.933x10-24cm3; (16)Surface Tension: 39.989 dyne/cm; (17)Enthalpy of Vaporization: 34.438 kJ/mol; (18)Boiling Point: 105.412 °C at 760 mmHg; (19)Vapour Pressure: 29.569 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC1CCC1
(2)InChI: InChI=1/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
(3)InChIKey: INVYSLWXPIEDIQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
(5)Std. InChIKey: INVYSLWXPIEDIQ-UHFFFAOYSA-N

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