ChemSpider 2D Image | 4-Propylaniline | C9H13N

4-Propylaniline

  • Molecular FormulaC9H13N
  • Average mass135.206 Da
  • Monoisotopic mass135.104797 Da
  • ChemSpider ID21159695

More details:

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

220-271-0 [EINECS]
2696-84-6 [RN]
4-Propylanilin [German] [ACD/IUPAC Name]
4-Propylaniline [ACD/IUPAC Name]
4-Propylaniline [French] [ACD/IUPAC Name]
4-Propylbenzenamine
Benzenamine, 4-propyl- [ACD/Index Name]
ZR D3 [WLN]
(4-Propylphenyl)amine
(p-Propylphenyl)amine
More...

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

MFCD00007924 [DBID]
237345_ALDRICH [DBID]
NSC 13208 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      20/21/22 Alfa Aesar L03880
      6.1 Alfa Aesar L03880
      9-36/37 Alfa Aesar L03880
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar L03880
      H302-H312-H332 Alfa Aesar L03880
      HARMFUL Alfa Aesar L03880
      P261-P280-P304+P340-P301+P312-P312-P501a Alfa Aesar L03880
      Warning Alfa Aesar L03880
  • Gas Chromatography

    • Retention Index (Kovats):

      1304 (estimated with error: 83) NIST Spectra mainlib_239679, replib_73581, replib_135217
      1313 (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: 2696846; 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
      2050 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 2696846; 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

    • Retention Index (Linear):

      1231.1 (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: 2696846; 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: 1.0±0.1 g/cm3
Boiling Point: 225.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 103.9±0.0 °C
Index of Refraction: 1.546
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 31.19
ACD/KOC (pH 5.5): 390.01
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.58
ACD/KOC (pH 7.4): 457.44
Polar Surface Area: 26 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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