ChemSpider 2D Image | 2-[(4-Nitrophenyl)ethynyl]-1,4-benzoquinone | C14H7NO4

2-[(4-Nitrophenyl)ethynyl]-1,4-benzoquinone

  • Molecular FormulaC14H7NO4
  • Average mass253.210 Da
  • Monoisotopic mass253.037506 Da
  • ChemSpider ID57499288

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[2-(4-nitrophenyl)ethynyl]- [ACD/Index Name]
2-[(4-Nitrophenyl)ethinyl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(4-Nitrophenyl)ethynyl]-1,4-benzoquinone [ACD/IUPAC Name]
2-[(4-Nitrophényl)éthynyl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-[(NITROPHENYL)ETHYNYL]-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 422.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 207.8±21.5 °C
Index of Refraction: 1.658
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.93
ACD/KOC (pH 5.5): 563.62
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.93
ACD/KOC (pH 7.4): 563.62
Polar Surface Area: 80 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 178.2±5.0 cm3

Click to predict properties on the Chemicalize site


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