Home Page Flashcards 2,2',4,4',5,5'-Hexabromobiphenyl C12H4Br6 structure - Flashcards

2,2′,4,4′,5,5′-Hexabromobiphenyl C12H4Br6 structure – Flashcards

Flashcard maker : Jacob Herring

Contents

Experimental Melting Point:
Retention Index (Kovats):
Retention Index (Normal Alkane):

Molecular Formula	C₁₂H₄Br₆
Average mass	627.584 Da
Density	2.5±0.1 g/cm³
Boiling Point	474.4±40.0 °C at 760 mmHg
Flash Point	231.9±22.1 °C
Molar Refractivity	97.0±0.3 cm³
Polarizability	38.4±0.5 10^-24cm³
Surface Tension	54.3±3.0 dyne/cm
Molar Volume	251.8±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  72 °C Jean-Claude Bradley Open Melting Point Dataset 22699

Gas Chromatography

Retention Index (Kovats):

3285 (estimated with error: 62) NIST Spectra mainlib_77809

Retention Index (Normal Alkane):

2819.8 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 90 0C (4 min) ^ 18 0C/min -; 180 0C (1 min) ^ 0.9 0C/min -; 200 0C (1 min) ^ 1.5 0C/min -; 270 0C (15 min); CAS no: 59080409; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Najam, A.R.; Korver, M.P.; Williams, C.C.; Burse, V.W.; Needham, L.L., Analysis of a mixture of polychlorinated biphenyls and chlorinated pesticides in human serum by column fractionation and dual-column capillary gas chromatography with electron capture detection, J. AOAC Int., 82(1), 1999, 177-185.) NIST Spectra nist ri

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

Density:	2.5±0.1 g/cm³
Boiling Point:	474.4±40.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization:	71.0±3.0 kJ/mol
Flash Point:	231.9±22.1 °C
Index of Refraction:	1.697
Molar Refractivity:	97.0±0.3 cm³
#H bond acceptors:	0
#H bond donors:	0
#Freely Rotating Bonds:	1
#Rule of 5 Violations:	2

ACD/LogP:	7.97
ACD/LogD (pH 5.5):	7.58
ACD/BCF (pH 5.5):	337036.59
ACD/KOC (pH 5.5):	314981.34
ACD/LogD (pH 7.4):	7.58
ACD/BCF (pH 7.4):	337036.59
ACD/KOC (pH 7.4):	314981.34
Polar Surface Area:	0 Å²
Polarizability:	38.4±0.5 10^-24cm³
Surface Tension:	54.3±3.0 dyne/cm
Molar Volume:	251.8±3.0 cm³

Click to predict properties on the Chemicalize site

2,2′,4,4′,5,5′-Hexabromobiphenyl C12H4Br6 structure – Flashcards

Experimental Melting Point:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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