Home Page Flashcards 4-Butylaniline C10H15N structure - Flashcards

4-Butylaniline C10H15N structure – Flashcards

Flashcard maker : Sam Arent

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental LogP:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Safety:
Retention Index (Kovats):

Molecular Formula	C₁₀H₁₅N
Average mass	149.233 Da
Density	0.9±0.1 g/cm³
Boiling Point	261.0±0.0 °C at 760 mmHg
Flash Point	101.7±0.0 °C
Molar Refractivity	49.3±0.3 cm³
Polarizability	19.5±0.5 10^-24cm³
Surface Tension	37.3±3.0 dyne/cm
Molar Volume	157.5±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon
Predicted – Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  -14 °C Alfa Aesar
  
  -14 °C Jean-Claude Bradley Open Melting Point Dataset 13925, 5425
  
  -14 °C Alfa Aesar B25234
  
  -14 °C LabNetwork LN00227300
- Experimental Boiling Point:
  
  250 °C Alfa Aesar
  
  250 °C Alfa Aesar B25234
  
  133-134 °C / 14 mm (284.2707-285.6093 °C / 760 mmHg)
  Oakwood 037413
  
  126 °C / 18 mm (265.7523 °C / 760 mmHg)
  LabNetwork LN00227300
- Experimental LogP:
  
  2.99 Vitas-M STK977867
- Experimental Flash Point:
  
  101 °C Alfa Aesar
  
  101 °C Alfa Aesar
  
  101 °F (38.3333 °C)
  Alfa Aesar B25234
  
  102 °C Oakwood 037413
  
  101 °C LabNetwork LN00227300
- Experimental Gravity:
  
  0.942 g/mL Alfa Aesar B25234
  
  0.945 g/mL Oakwood 037413
- Experimental Refraction Index:
  
  1.535 Alfa Aesar B25234

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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4-Butylaniline C10H15N structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental LogP:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Safety:

Retention Index (Kovats):

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