ChemSpider 2D Image | sudan 7b | C24H21N5

sudan 7b

  • Molecular FormulaC24H21N5
  • Average mass379.457 Da
  • Monoisotopic mass379.179688 Da
  • ChemSpider ID55325

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Phenylazo-phenylazo)-2-ethylaminonaphthalene
1-[4-(Phenylazo)-phenylazo]-2-ethylaminonaphthalene
228-862-5 [EINECS]
2-Naphthalenamine, N-ethyl-1-((4-(phenylazo)phenyl)azo)-
2-Naphthalenamine, N-ethyl-1-[(E)-2-[4-[(E)-2-phenyldiazenyl]phenyl]diazenyl]- [ACD/Index Name]
4-16-00-00556 [Beilstein]
6368-72-5 [RN]
8QUH39Y06P
Ceres Red 7B
fat red 7B
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3534323 [DBID]
201618_ALDRICH [DBID]
26050 [DBID]
26050; 26050 [DBID]
46290_FLUKA [DBID]
BRN 3534323 [DBID]
C.I. 26,050 [DBID]
C.I. 26050 [DBID]
NSC 326202 [DBID]
NSC326202 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 606.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.7±27.3 °C
Index of Refraction: 1.641
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49150.49
ACD/KOC (pH 5.5): 78576.00
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 50946.65
ACD/KOC (pH 7.4): 81447.49
Polar Surface Area: 61 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  530.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  214.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.36E-011  (Modified Grain method)
    Subcooled liquid VP: 4.57E-009 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0002578
       log Kow used: 7.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0007891 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.04E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.444E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.93  (KowWin est)
  Log Kaw used:  -9.782  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.712
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0224
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6469  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0912  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4931
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7086
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.09E-007 Pa (4.57E-009 mm Hg)
  Log Koa (Koawin est  ): 17.712
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.92 
       Octanol/air (Koa) model:  1.26E+005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.994 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.0621 E-12 cm3/molecule-sec
      Half-Life =     0.267 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.204 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.158E+006
      Log Koc:  6.064 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.000 (BCF = 10)
       log Kow used: 7.93 (estimated)

 Volatilization from Water:
    Henry LC:  4.04E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.823E+008  hours   (1.176E+007 days)
    Half-Life from Model Lake :  3.08E+009  hours   (1.283E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000964        6.41         1000       
   Water     0.6             4.32e+003    1000       
   Soil      52.2            8.64e+003    1000       
   Sediment  47.2            3.89e+004    0          
     Persistence Time: 1.47e+004 hr

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