ChemSpider 2D Image | (4-{[4-(Trimethylsilyl)phenyl]ethynyl}-1H-pyrazol-1-yl)acetic acid | C16H18N2O2Si

(4-{[4-(Trimethylsilyl)phenyl]ethynyl}-1H-pyrazol-1-yl)acetic acid

  • Molecular FormulaC16H18N2O2Si
  • Average mass298.412 Da
  • Monoisotopic mass298.113739 Da
  • ChemSpider ID95157061

More details:

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

(4-{[4-(Trimethylsilyl)phenyl]ethinyl}-1H-pyrazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(4-{[4-(Trimethylsilyl)phenyl]ethynyl}-1H-pyrazol-1-yl)acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-[2-[4-(trimethylsilyl)phenyl]ethynyl]- [ACD/Index Name]
Acide (4-{[4-(triméthylsilyl)phényl]éthynyl}-1H-pyrazol-1-yl)acétique [French] [ACD/IUPAC 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: 463.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.2±25.9 °C
Index of Refraction: 1.545
Molar Refractivity: 88.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 9.73
ACD/KOC (pH 5.5): 47.30
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 55 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 279.8±7.0 cm3

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