ChemSpider 2D Image | 2-(2-Hydroxyoctyl)succinohydrazide | C12H26N4O3

2-(2-Hydroxyoctyl)succinohydrazide

  • Molecular FormulaC12H26N4O3
  • Average mass274.360 Da
  • Monoisotopic mass274.200500 Da
  • ChemSpider ID2355574

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

2-(2-Hydroxyoctyl)succinohydrazid [German] [ACD/IUPAC Name]
2-(2-Hydroxyoctyl)succinohydrazide [ACD/IUPAC Name]
2-(2-Hydroxyoctyl)succinohydrazide [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(2-hydroxyoctyl)-, dihydrazide [ACD/Index Name]
(2R)-2-[(2S)-2-hydroxyoctyl]butanedihydrazide
2-(2-hydroxyoctyl)butanedihydrazide
291743-65-2 [RN]
AC1MIS4L
AGN-PC-0KA47H
AKOS000506197
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00333783 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 577.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 99.3±6.0 kJ/mol
    Flash Point: 303.3±28.7 °C
    Index of Refraction: 1.513
    Molar Refractivity: 73.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 7
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: -0.47
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.09
    ACD/LogD (pH 7.4): -0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.18
    Polar Surface Area: 130 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 48.8±3.0 dyne/cm
    Molar Volume: 244.1±3.0 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) =  -1.07
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  521.31  (Adapted Stein & Brown method)
        Melting Pt (deg C):  222.55  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  3.19E-013  (Modified Grain method)
        Subcooled liquid VP: 4.15E-011 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):  6998
           log Kow used: -1.07 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   2.20E-020  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.646E-017 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -1.07  (KowWin est)
      Log Kaw used:  -18.046  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  16.976
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.8841
       Biowin2 (Non-Linear Model)     :   0.8884
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.0512  (weeks       )
       Biowin4 (Primary Survey Model) :   3.8504  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.0710
       Biowin6 (MITI Non-Linear Model):   0.0000
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.4218
     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):  5.53E-009 Pa (4.15E-011 mm Hg)
      Log Koa (Koawin est  ): 16.976
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  542 
           Octanol/air (Koa) model:  2.32E+004 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  42.5729 E-12 cm3/molecule-sec
          Half-Life =     0.251 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     3.015 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  195.4
          Log Koc:  2.291 
    
     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 = 0.500 (BCF = 3.162)
           log Kow used: -1.07 (estimated)
    
     Volatilization from Water:
        Henry LC:  2.2E-020 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 4.408E+016  hours   (1.837E+015 days)
        Half-Life from Model Lake : 4.809E+017  hours   (2.004E+016 days)
    
     Removal In Wastewater Treatment:
        Total removal:               1.85  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.75  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       1.63e-008       6.03         1000       
       Water     39              360          1000       
       Soil      61              720          1000       
       Sediment  0.0713          3.24e+003    0          
         Persistence Time: 579 hr
    
    
    
    
                        

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