ChemSpider 2D Image | Dimethyl (2E)-2-[3-(dimethylamino)-1,5-diphenyl-1,4-pentadiyn-3-yl]-2-butenedioate | C25H23NO4

Dimethyl (2E)-2-[3-(dimethylamino)-1,5-diphenyl-1,4-pentadiyn-3-yl]-2-butenedioate

  • Molecular FormulaC25H23NO4
  • Average mass401.454 Da
  • Monoisotopic mass401.162720 Da
  • ChemSpider ID30659233

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[3-(Diméthylamino)-1,5-diphényl-1,4-pentadiyn-3-yl]-2-butènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-[1-(dimethylamino)-3-phenyl-1-(2-phenylethynyl)-2-propyn-1-yl]-, dimethyl ester, (2E)- [ACD/Index Name]
Dimethyl (2E)-2-[3-(dimethylamino)-1,5-diphenyl-1,4-pentadiyn-3-yl]-2-butenedioate [ACD/IUPAC Name]
Dimethyl-(2E)-2-[3-(dimethylamino)-1,5-diphenyl-1,4-pentadiin-3-yl]-2-butendioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 11.97
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 147490.20
ACD/KOC (pH 5.5): 174318.13
ACD/LogD (pH 7.4): 7.10
ACD/BCF (pH 7.4): 147532.14
ACD/KOC (pH 7.4): 174367.70
Polar Surface Area: 56 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

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