ChemSpider 2D Image | 4-(1,4-Pentadiyn-3-ylidene)-2,5-heptadiynedial | C12H4O2

4-(1,4-Pentadiyn-3-ylidene)-2,5-heptadiynedial

  • Molecular FormulaC12H4O2
  • Average mass180.159 Da
  • Monoisotopic mass180.021133 Da
  • ChemSpider ID28570224

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Heptadiynedial, 4-(1-ethynyl-2-propyn-1-ylidene)- [ACD/Index Name]
4-(1,4-Pentadiin-3-yliden)-2,5-heptadiindial [German] [ACD/IUPAC Name]
4-(1,4-Pentadiyn-3-ylidene)-2,5-heptadiynedial [ACD/IUPAC Name]
4-(1,4-Pentadiyn-3-ylidène)-2,5-heptadiynedial [French] [ACD/IUPAC Name]
2,5-HEPTADIYNEDIAL, 4-(1-ETHYNYL-2-PROPYNYLIDENE)-
4-(PENTA-1,4-DIYN-3-YLIDENE)HEPTA-2,5-DIYNEDIAL
823813-80-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 260.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 99.9±13.0 °C
Index of Refraction: 1.580
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.99
ACD/KOC (pH 5.5): 659.92
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.99
ACD/KOC (pH 7.4): 659.92
Polar Surface Area: 34 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 148.6±3.0 cm3

Click to predict properties on the Chemicalize site


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