ChemSpider 2D Image | 3,5-xylidine | C8H11N

3,5-xylidine

  • Molecular FormulaC8H11N
  • Average mass121.180 Da
  • Monoisotopic mass121.089149 Da
  • ChemSpider ID21106578

More details:



Featured data source



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

108-69-0 [RN]
1418BR6T2H
203-607-0 [EINECS]
3,5-Dimethylanilin [German] [ACD/IUPAC Name]
3,5-Dimethylaniline [ACD/IUPAC Name]
3,5-Diméthylaniline [French] [ACD/IUPAC Name]
3,5-xylidine [Wiki]
Benzenamine, 3,5-dimethyl- [ACD/Index Name]
(2,4-dimethylphenyl)amine
(3,5-dimethylphenyl)amine
More...

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

137863_ALDRICH [DBID]
240915_ALDRICH [DBID]
301493_ALDRICH [DBID]
39480_FLUKA [DBID]
442315_SUPELCO [DBID]
AI3-16558 [DBID]
AIDS018976 [DBID]
AIDS-018976 [DBID]
BRN 0636243 [DBID]
C11003 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-30574]
    • Safety:

      20/21/22 Novochemy [NC-30574]
      20/21/36/37/39 Novochemy [NC-30574]
      23/24/25-33-51/53 Alfa Aesar A10570
      28-36/37-45-61 Alfa Aesar A10570
      6.1 Alfa Aesar A10570
      Danger Alfa Aesar A10570
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar A10570
      GHS07; GHS09 Novochemy [NC-30574]
      H301-H311-H331-H373-H411 Alfa Aesar A10570
      H332; H403 Novochemy [NC-30574]
      P280h-P273-P309-P310-P302+P352 Alfa Aesar A10570
      P332+P313; P305+P351+P338 Novochemy [NC-30574]
      R52/53 Novochemy [NC-30574]
      Toxic/Light Sensitive/Air Sensitive/Store under Argon SynQuest 3730-1-X0, 59347, 3730-1-X1, 59348
      Warning Novochemy [NC-30574]
  • Gas Chromatography
    • Retention Index (Kovats):

      1219 (estimated with error: 83) NIST Spectra mainlib_291465, replib_71192, replib_155485, replib_228783
    • Retention Index (Lee):

      198.01 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 300 C; End time: 20 min; Start time: 4 min; CAS no: 108690; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 328-334.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1140 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 108690; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri
    • Retention Index (Linear):

      1177 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 300 C; End time: 20 min; Start time: 4 min; CAS no: 108690; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 328-334.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 218.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 93.3±0.0 °C
Index of Refraction: 1.559
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 12.91
ACD/KOC (pH 5.5): 205.30
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.71
ACD/KOC (pH 7.4): 249.71
Polar Surface Area: 26 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 124.3±3.0 cm3

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