ChemSpider 2D Image | (2S,3S)-2-Methyl-3-propyloxirane | C6H12O

(2S,3S)-2-Methyl-3-propyloxirane

  • Molecular FormulaC6H12O
  • Average mass100.159 Da
  • Monoisotopic mass100.088814 Da
  • ChemSpider ID29321169

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Methyl-3-propyloxiran [German] [ACD/IUPAC Name]
(2S,3S)-2-Methyl-3-propyloxirane [ACD/IUPAC Name]
(2S,3S)-2-Méthyl-3-propyloxirane [French] [ACD/IUPAC Name]
Oxirane, 2-methyl-3-propyl-, (2S,3S)- [ACD/Index Name]
6124-91-0 [RN]
Oxirane, 2-methyl-3-propyl-, trans-
trans-2,3-epoxyhexane

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

  • Gas Chromatography

    • Retention Index (Kovats):

      739.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 60 C; CAS no: 6124910; Active phase: OV-101; Carrier gas: N2; Phase thickness: 0.9 um; Data type: Kovats RI; Authors: Boneva, S.; Dimov, N., Gas chromatographic separation of C6 epoxides on OV-101 glass capillary column; pre-calculation of the retention index, Chromatographia, 22(7-12), 1986, 271-274., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 6124910; Active phase: OV-101; Carrier gas: N2; Phase thickness: 0.9 um; Data type: Kovats RI; Authors: Boneva, S.; Dimov, N., Gas chromatographic separation of C6 epoxides on OV-101 glass capillary column; pre-calculation of the retention index, Chromatographia, 22(7-12), 1986, 271-274.) NIST Spectra nist ri
      739.8 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 6124910; Active phase: OV-101; Carrier gas: N2; Phase thickness: 0.9 um; Data type: Kovats RI; Authors: Boneva, S.; Dimov, N., Gas chromatographic separation of C6 epoxides on OV-101 glass capillary column; pre-calculation of the retention index, Chromatographia, 22(7-12), 1986, 271-274., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.27 mm; Column length: 100 m; Column type: Capillary; Start T: 90 C; CAS no: 6124910; Active phase: OV-101; Carrier gas: N2; Phase thickness: 0.9 um; Data type: Kovats RI; Authors: Boneva, S.; Dimov, N., Gas chromatographic separation of C6 epoxides on OV-101 glass capillary column; pre-calculation of the retention index, Chromatographia, 22(7-12), 1986, 271-274.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 108.4±8.0 °C at 760 mmHg
Vapour Pressure: 30.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.3±3.0 kJ/mol
Flash Point: 11.5±15.3 °C
Index of Refraction: 1.413
Molar Refractivity: 29.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.40
ACD/KOC (pH 5.5): 246.36
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.40
ACD/KOC (pH 7.4): 246.36
Polar Surface Area: 13 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 118.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement