ChemSpider 2D Image | (+)-alpha-thujene | C10H16

(+)-α-thujene

  • Molecular FormulaC10H16
  • Average mass136.234 Da
  • Monoisotopic mass136.125198 Da
  • ChemSpider ID21865693
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(+)-α-thujene
(1S,5R)-thuj-2-ene
(1S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-en [German] [ACD/IUPAC Name]
(1S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene [ACD/IUPAC Name]
(1S,5S)-5-Isopropyl-2-méthylbicyclo[3.1.0]hex-2-ène [French] [ACD/IUPAC Name]
220-686-7 [EINECS]
2867-05-2 [RN]
563-34-8 [RN]
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1S,5S)- [ACD/Index Name]
O47H0626QK
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 151.0±0.0 °C at 760 mmHg
Vapour Pressure: 4.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.2±0.8 kJ/mol
Flash Point: 33.6±6.6 °C
Index of Refraction: 1.513
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 722.55
ACD/KOC (pH 5.5): 3872.38
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 722.55
ACD/KOC (pH 7.4): 3872.38
Polar Surface Area: 0 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 145.6±3.0 cm3

Click to predict properties on the Chemicalize site





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