ChemSpider 2D Image | BW9470000 | C10H15N

BW9470000

  • Molecular FormulaC10H15N
  • Average mass149.233 Da
  • Monoisotopic mass149.120453 Da
  • ChemSpider ID21106519

More details:






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

104-13-2 [RN]
203-177-4 [EINECS]
4-Butylanilin [German] [ACD/IUPAC Name]
4-Butylaniline [ACD/IUPAC Name]
4-Butylaniline [French] [ACD/IUPAC Name]
4-Butylbenzenamine
4-n-Butylaniline
4-n-butylbenzenamine
Aniline, 4-butyl-
Aniline, p-butyl-
More...

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

112666_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      20/21/22-36/37/38 Alfa Aesar B25234
      9-23-26-36/37-60 Alfa Aesar B25234
      Danger Biosynth W-108824
      GHS06 Biosynth W-108824
      H301; H311; H331; H315; H319; H335 Biosynth W-108824
      H302-H312-H332-H315-H319-H335 Alfa Aesar B25234
      P261; P280; P301+P310; P305+P351+P338; P311 Biosynth W-108824
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar B25234
      Warning Alfa Aesar B25234
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar B25234
  • Gas Chromatography
    • Retention Index (Kovats):

      1404 (estimated with error: 83) NIST Spectra mainlib_232327, replib_69503, replib_135386, replib_155648
      1417 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 104132; Active phase: Apiezon L; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri
      2155 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 104132; Active phase: Carbowax 20M; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 261.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 101.7±0.0 °C
Index of Refraction: 1.538
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 49.49
ACD/KOC (pH 5.5): 532.99
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.83
ACD/KOC (pH 7.4): 665.83
Polar Surface Area: 26 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 157.5±3.0 cm3

Click to predict properties on the Chemicalize site






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