ChemSpider 2D Image | (2S)-2-Ethylhexyl 2-cyano-3,3-diphenylacrylate | C24H27NO2

(2S)-2-Ethylhexyl 2-cyano-3,3-diphenylacrylate

  • Molecular FormulaC24H27NO2
  • Average mass361.477 Da
  • Monoisotopic mass361.204193 Da
  • ChemSpider ID32787559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ethylhexyl 2-cyano-3,3-diphenylacrylate [ACD/IUPAC Name]
(2S)-2-Ethylhexyl-2-cyan-3,3-diphenylacrylat [German] [ACD/IUPAC Name]
2-Cyano-3,3-diphénylacrylate de (2S)-2-éthylhexyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3,3-diphenyl-, (2S)-2-ethylhexyl ester [ACD/Index Name]
228-250-8 [EINECS]
6197-30-4 [RN]
octocrylene [Wiki]
UNII-5A68WGF6WM

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 239.5±12.1 °C
Index of Refraction: 1.546
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38995.49
ACD/KOC (pH 5.5): 67271.52
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38995.49
ACD/KOC (pH 7.4): 67271.52
Polar Surface Area: 50 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

Click to predict properties on the Chemicalize site


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