ChemSpider 2D Image | 1-Ethynyl-4-[(4-nitrophenyl)ethynyl]benzene | C16H9NO2

1-Ethynyl-4-[(4-nitrophenyl)ethynyl]benzene

  • Molecular FormulaC16H9NO2
  • Average mass247.248 Da
  • Monoisotopic mass247.063324 Da
  • ChemSpider ID28534926

More details:

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

1-Ethinyl-4-[(4-nitrophenyl)ethinyl]benzol [German] [ACD/IUPAC Name]
1-Ethynyl-4-[(4-nitrophenyl)ethynyl]benzene [ACD/IUPAC Name]
1-Éthynyl-4-[(4-nitrophényl)éthynyl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-ethynyl-4-[2-(4-nitrophenyl)ethynyl]- [ACD/Index Name]
183022-61-9 [RN]
1-Ethynyl-4-((4-nitrophenyl)ethynyl)benzene
1-ETHYNYL-4-[2-(4-NITROPHENYL)ETHYNYL]BENZENE
MFCD23135425

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 191.2±17.4 °C
Index of Refraction: 1.657
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 716.73
ACD/KOC (pH 5.5): 3850.03
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.73
ACD/KOC (pH 7.4): 3850.03
Polar Surface Area: 46 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement