ChemSpider 2D Image | (1R)-1-(4-Nitrophenyl)-2-propyn-1-ol | C9H7NO3

(1R)-1-(4-Nitrophenyl)-2-propyn-1-ol

  • Molecular FormulaC9H7NO3
  • Average mass177.157 Da
  • Monoisotopic mass177.042587 Da
  • ChemSpider ID32787578

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(4-Nitrophenyl)-2-propin-1-ol [German] [ACD/IUPAC Name]
(1R)-1-(4-Nitrophenyl)-2-propyn-1-ol [ACD/IUPAC Name]
(1R)-1-(4-Nitrophényl)-2-propyn-1-ol [French] [ACD/IUPAC Name]
Benzenemethanol, α-ethynyl-4-nitro-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 318.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 141.7±13.6 °C
Index of Refraction: 1.616
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 116.74
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.42
ACD/KOC (pH 7.4): 116.73
Polar Surface Area: 66 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 132.6±3.0 cm3

Click to predict properties on the Chemicalize site


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