ChemSpider 2D Image | (3-{(E)-2-[4-(Diethylamino)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)malononitrile | C23H27N3

(3-{(E)-2-[4-(Diethylamino)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)malononitrile

  • Molecular FormulaC23H27N3
  • Average mass345.481 Da
  • Monoisotopic mass345.220490 Da
  • ChemSpider ID30658420

  • Double-bond stereo - Double-bond stereo

More details:

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

(3-{(E)-2-[4-(Diethylamino)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-yliden)malononitril [German] [ACD/IUPAC Name]
(3-{(E)-2-[4-(Diethylamino)phenyl]vinyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)malononitrile [ACD/IUPAC Name]
(3-{(E)-2-[4-(Diéthylamino)phényl]vinyl}-5,5-diméthyl-2-cyclohexén-1-ylidène)malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]- [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: 525.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 222.4±19.4 °C
Index of Refraction: 1.623
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 363.46
ACD/KOC (pH 5.5): 966.55
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6526.15
ACD/KOC (pH 7.4): 17355.06
Polar Surface Area: 51 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 313.9±3.0 cm3

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