ChemSpider 2D Image | 2,6-Diethylaniline | C10H15N

2,6-Diethylaniline

  • Molecular FormulaC10H15N
  • Average mass149.233 Da
  • Monoisotopic mass149.120453 Da
  • ChemSpider ID21106539

More details:

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

2,6-Diethylanilin [German] [ACD/IUPAC Name]
2,6-Diethylaniline [ACD/IUPAC Name]
2,6-Diéthylaniline [French] [ACD/IUPAC Name]
2,6-Diethylbenzenamine
209-445-7 [EINECS]
579-66-8 [RN]
Benzenamine, 2,6-diethyl- [ACD/Index Name]
ZR B2 F2 [WLN]
(2,6-Diethylphenyl)amine
[579-66-8] [RN]
More...

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

1423626 [Beilstein] [DBID]
VT2234594H [DBID]
149381_ALDRICH [DBID]
31990_FLUKA [DBID]
36765_RIEDEL [DBID]
AI3-26297 [DBID]
BRN 1423626 [DBID]
C11001 [DBID]
CCRIS 2688 [DBID]
CCRIS 4693 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Toxicity:

      Organic Compound; Amine; Food Toxin; Metabolite; Animal Toxin; Natural Compound Toxin, Toxin-Target Database T3D4868

    • Safety:

      WARNING: Harmful through skin absorbtion or ingestion. Alfa Aesar A18008
  • Gas Chromatography

    • Retention Index (Kovats):

      1417 (estimated with error: 83) NIST Spectra mainlib_227959, replib_70940, replib_281632

    • Retention Index (Lee):

      227.43 (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: 6 K/min; Start T: 50 C; End T: 300 C; Start time: 4 min; CAS no: 579668; Active phase: Durabond-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Pereira, W.E.; Rostad, C.E.; Leiker, T.J., Determination of trace levels of herbicides and their degradation products in surface and ground waters by gas chromatography/ion trap mass spectrometry, Anal. Chim. Acta, 228, 1990, 69-75.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1329 (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: 6 K/min; Start T: 50 C; End T: 300 C; Start time: 4 min; CAS no: 579668; Active phase: Durabond-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Pereira, W.E.; Rostad, C.E.; Leiker, T.J., Determination of trace levels of herbicides and their degradation products in surface and ground waters by gas chromatography/ion trap mass spectrometry, Anal. Chim. Acta, 228, 1990, 69-75.) NIST Spectra nist ri

    • Retention Index (Linear):

      1295.6 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 579668; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 244.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 123.3±0.0 °C
Index of Refraction: 1.543
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.39
ACD/KOC (pH 5.5): 386.67
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.62
ACD/KOC (pH 7.4): 402.97
Polar Surface Area: 26 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 157.3±3.0 cm3

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