Home Page Flashcards Xylenol orange C31H32N2O13S structure - Flashcards

Xylenol orange C31H32N2O13S structure – Flashcards

Flashcard maker : Trina Garrison

Contents

Experimental Melting Point:
Appearance:
Stability:
Safety:

Molecular Formula	C₃₁H₃₂N₂O₁₃S
Average mass	672.656 Da
Density	1.6±0.1 g/cm³
Boiling Point	895.1±65.0 °C at 760 mmHg
Flash Point	495.1±34.3 °C
Molar Refractivity	162.3±0.4 cm³
Polarizability	64.3±0.5 10^-24cm³
Surface Tension	82.9±3.0 dyne/cm
Molar Volume	430.0±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  210 °C Oxford University Chemical Safety Data (No longer updated) More details
  
  210 °C Jean-Claude Bradley Open Melting Point Dataset 15110
Miscellaneous
- Appearance:
  
  red-brown to purple crystalline powder Oxford University Chemical Safety Data (No longer updated) More details
- Stability:
  
  Stable, but may be moisture sensitive. Oxford University Chemical Safety Data (No longer updated) More details
- Safety:
  
  Safety glasses, gloves, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details

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

Density:	1.6±0.1 g/cm³
Boiling Point:	895.1±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	136.3±3.0 kJ/mol
Flash Point:	495.1±34.3 °C
Index of Refraction:	1.679
Molar Refractivity:	162.3±0.4 cm³
#H bond acceptors:	15
#H bond donors:	6
#Freely Rotating Bonds:	14
#Rule of 5 Violations:	3

ACD/LogP:	2.52
ACD/LogD (pH 5.5):	-3.09
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-3.70
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	248 Å²
Polarizability:	64.3±0.5 10^-24cm³
Surface Tension:	82.9±3.0 dyne/cm
Molar Volume:	430.0±3.0 cm³

Click to predict properties on the Chemicalize site

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