CA Index Name: 1,3,7-Octatrien-5-yne
Registry Number: 16607-77-5
Systematic Name: (3E)-octa-1,3,7-trien-5-yne
Molecular Formula: C8H8
Molecular Weight: 104.1491
Surface Tension: 28 dyne/cm
Density: 0.815 g/cm3
Flash Point: 24.6 °C
Enthalpy of Vaporization: 36.07 kJ/mol
Boiling Point: 139 °C at 760 mmHg
Vapour Pressure: 8.16 mmHg at 25°C
Following is the molecular structure of 1,3,7-Octatrien-5-yne (CAS NO.16607-77-5) is:
Decomposes violently when heated to 156°C. A dangerous storage hazard; it polymerizes to a shock-sensitive explosive solid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
Descriptors computed from structure, you can know some information about 1,3,7-Octatrien-5-yne (CAS NO.16607-77-5) :
SMILES: C(#C\C=C\C=C)\C=C Copy
InChI: InChI=1/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5+
InChIKey: DYQVQSUVEDCHDD-FNORWQNLBU
Std. InChI: InChI=1S/C8H8/c1-3-5-7-8-6-4-2/h3-5,7H,1-2H2/b7-5+
Std. InChIKey: DYQVQSUVEDCHDD-FNORWQNLSA-N
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