ChemSpider 2D Image | Tricyclo[5.2.1.0~2,6~]dec-4-en-3-yl butyrate | C14H20O2

Tricyclo[5.2.1.02,6]dec-4-en-3-yl butyrate

  • Molecular FormulaC14H20O2
  • Average mass220.307 Da
  • Monoisotopic mass220.146332 Da
  • ChemSpider ID23349231

More details:






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

Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-1-yl ester [ACD/Index Name]
Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester
Butyrate de tricyclo[5.2.1.02,6]déc-4-én-3-yle [French] [ACD/IUPAC Name]
L C555 DUTJ IOV3 [WLN]
Tricyclo[5.2.1.02,6]dec-4-en-3-yl butyrate [ACD/IUPAC Name]
Tricyclo[5.2.1.02,6]dec-4-en-3-ylbutyrat [German] [ACD/IUPAC Name]
113889-23-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 293.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 123.7±9.0 °C
Index of Refraction: 1.527
Molar Refractivity: 62.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.13
ACD/KOC (pH 5.5): 2200.84
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.13
ACD/KOC (pH 7.4): 2200.84
Polar Surface Area: 26 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 203.0±5.0 cm3

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