ChemSpider 2D Image | 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol | C10H18O

1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol

  • Molecular FormulaC10H18O
  • Average mass154.249 Da
  • Monoisotopic mass154.135757 Da
  • ChemSpider ID21428672

More details:

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

1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol [ACD/IUPAC Name]
1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol [German] [ACD/IUPAC Name]
1-Isopropyl-4-méthylbicyclo[3.1.0]hexan-3-ol [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)- [ACD/Index Name]
513-23-5 [RN]
neo-Isothujan-3-ol

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

  • Gas Chromatography

    • Retention Index (Normal Alkane):

      1158 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 21653190; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1132 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 21653190; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1662 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 21653190; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri
      1635 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 21653190; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

    • Retention Index (Linear):

      1139 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; Start time: 2 min; CAS no: 21653190; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C., Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species, J. Braz. Chem. Soc., 17(3), 2006, 555-561.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 209.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.8±6.0 kJ/mol
Flash Point: 83.7±10.9 °C
Index of Refraction: 1.517
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.19
ACD/KOC (pH 5.5): 824.14
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.19
ACD/KOC (pH 7.4): 824.14
Polar Surface Area: 20 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 151.3±3.0 cm3

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