Home Page Flashcards Methylbenzyl bromide C8H9Br structure - Flashcards

Methylbenzyl bromide C8H9Br structure – Flashcards

Flashcard maker : Marie Florence

Contents

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

Molecular Formula	C₈H₉Br
Average mass	185.061 Da
Density	1.4±0.1 g/cm³
Boiling Point	203.0±0.0 °C at 760 mmHg
Flash Point	81.7±0.0 °C
Molar Refractivity	43.5±0.3 cm³
Polarizability	17.3±0.5 10^-24cm³
Surface Tension	36.5±3.0 dyne/cm
Molar Volume	136.2±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  -65 °C SynQuest
  
  -65 °C Alfa Aesar
  
  -65 °C Jean-Claude Bradley Open Melting Point Dataset 923
  
  -65 °C Alfa Aesar A16839
  
  -65 °C SynQuest 55850, 1700-9-01
- Experimental Boiling Point:
  
  200 °C Alfa Aesar
  
  200 °C Alfa Aesar A16839
  
  94 °C / 16 mmHg (227.5116 °C / 760 mmHg)
  SynQuest 55850, 1700-9-01
- Experimental Flash Point:
  
  81 °C Alfa Aesar
  
  81 °C Alfa Aesar
  
  81 °F (27.2222 °C)
  Alfa Aesar A16839
  
  82 °C SynQuest 55850, 1700-9-01
  
  96 °C LabNetwork LN00334975
- Experimental Gravity:
  
  25 g/mL SynQuest 1700-9-01
  
  1.356 g/mL Alfa Aesar A16839
  
  1.356 g/mL SynQuest 1700-9-01
- Experimental Refraction Index:
  
  1.56 Alfa Aesar A16839
  
  1.56 SynQuest 55850, 1700-9-01

Miscellaneous

Safety:

26-37 Alfa Aesar A16839

36/37/38 Alfa Aesar A16839

GHS07 Biosynth W-105384

H315; H319; H335 Biosynth W-105384

H315-H319-H335 Alfa Aesar A16839

Lachrymator SynQuest 1700-9-01, 55850

P261; P305+P351+P338 Biosynth W-105384

P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A16839

R36/37/38 SynQuest 1700-9-01, 55850

S26 SynQuest 1700-9-01, 55850

TBC SynQuest 1700-9-01

Warning Alfa Aesar A16839

Warning Biosynth W-105384

WARNING: Irritates lungs, eyes, skin Alfa Aesar A16839

Gas Chromatography

Retention Index (Kovats):

1125 (estimated with error: 62) NIST Spectra mainlib_228689, replib_107453, replib_160523

Retention Index (Normal Alkane):

1139 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 30 C; End T: 250 C; Start time: 5 min; CAS no: 585717; Active phase: SE-30; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Krasnykh, E.L.; Vasiltsova, T.V.; Varavkin, S.P.; Heintz, A., Vapor pressures and entalpies of vaporization of benzyl halides and benzyl ethers, J. Chem. Eng. Data, 47, 2002, 1372-1378.) NIST Spectra nist ri

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

Density:	1.4±0.1 g/cm³
Boiling Point:	203.0±0.0 °C at 760 mmHg
Vapour Pressure:	0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization:	42.1±3.0 kJ/mol
Flash Point:	81.7±0.0 °C
Index of Refraction:	1.552
Molar Refractivity:	43.5±0.3 cm³
#H bond acceptors:	0
#H bond donors:	0
#Freely Rotating Bonds:	1
#Rule of 5 Violations:	0

ACD/LogP:	3.27
ACD/LogD (pH 5.5):	3.11
ACD/BCF (pH 5.5):	136.91
ACD/KOC (pH 5.5):	1177.27
ACD/LogD (pH 7.4):	3.11
ACD/BCF (pH 7.4):	136.91
ACD/KOC (pH 7.4):	1177.27
Polar Surface Area:	0 Å²
Polarizability:	17.3±0.5 10^-24cm³
Surface Tension:	36.5±3.0 dyne/cm
Molar Volume:	136.2±3.0 cm³

Click to predict properties on the Chemicalize site

Methylbenzyl bromide C8H9Br structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Safety:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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