ChemSpider 2D Image | (1S,2R)-1-Allyl(2-~2~H_1_)-1,2-dihydro-1,4-naphthalenedicarbonitrile | C15H11DN2

(1S,2R)-1-Allyl(2-2H1)-1,2-dihydro-1,4-naphthalenedicarbonitrile

  • Molecular FormulaC15H11DN2
  • Average mass221.275 Da
  • Monoisotopic mass221.106323 Da
  • ChemSpider ID8418113

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,2R)-1-Allyl(2-2H1)-1,2-dihydro-1,4-naphtalènedicarbonitrile [French] [ACD/IUPAC Name]
(1S,2R)-1-Allyl(2-2H1)-1,2-dihydro-1,4-naphthalenedicarbonitrile [ACD/IUPAC Name]
(1S,2R)-1-Allyl(2-2H1)-1,2-dihydro-1,4-naphthalindicarbonitril [German] [ACD/IUPAC Name]
1,4-Naphthalene-2-d-dicarbonitrile, 1,2-dihydro-1-(2-propen-1-yl)-, (1S,2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 192.2±22.6 °C
Index of Refraction: 1.589
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.32
ACD/KOC (pH 5.5): 1713.63
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.32
ACD/KOC (pH 7.4): 1713.63
Polar Surface Area: 48 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 195.0±5.0 cm3

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