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Transport and distribution

Adsorption / desorption


The log of the adsorption coefficient (KOC) of Alcohols, C12-14 was estimated to be log KOC = 3.3512 which is equal to a KOC value of 2245 using the KOCWIN v2.00 QSAR method.

KOCWIN Program (v2.00) Results:



CHEM  : Alcohols, C12-14


MOL WT : 193-203

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI:


First Order Molecular Connectivity Index ........... : 6.414

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.9435

Fragment Correction(s):

1 Aliphatic Alcohol (-C-OH) ........... : -1.3179

Corrected Log Koc .................................. : 2.6256

Estimated Koc: 422.3 L/kg <===========

Koc Estimate from Log Kow:


Log Kow (experimental DB) ......................... : 5.13

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 3.7627

Fragment Correction(s):

1 Aliphatic Alcohol (-C-OH) ........... : -0.4114

Corrected Log Koc .................................. : 3.3512

Estimated Koc: 2245 L/kg <===========



  Henry's Law constant


The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 1.54E-004 atm-m3/mole (1.56E+001 Pa-m3/mole). This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).


Distribution modelling.


Alcohols, C12-14 has no affinity to be in air and sediment. The direct emissions to soil and surface water are significant, therefore Alcohols, C12-14 will be almost exclusively be found in soil and surface water.

Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 1.95e-010 (atm), in air (atm) 2.37e-011 and soil 6.36e-010 (atm) and sediment to be  1.5e-010 (atm).

These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.




Other distribution data


The results suggest for Alcohols, C12-14 that direct and indirect exposure from distribution in media is unlikely.

Based on low vapor pressure and low estimated log Pow, expected to partition to water and soil. Not expected to partition to air, sediments or biota.


Therefore testing for distribution in media does not need to be performed.


The estimated STP Fugacity Model and Volatilization From Water were measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency) .



                           Volatilization From Water



Chemical Name: Alcohols, C12-14


Molecular Weight   : 186.34 g/mole

Water Solubility   : -----

Vapor Pressure     : -----

Henry's Law Constant: 2.22E-005 atm-m3/mole (Henry experimental database)


                                         RIVER    LAKE        

                                       ---------        ---------

Water Depth    (meters):      1                1         

Wind Velocity   (m/sec):      5                0.5       

Current Velocity (m/sec):     1                0.05      


     HALF-LIFE (hours) :     37.39            522.4     

     HALF-LIFE (days ) :     1.558            21.77     


 STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility


  (using 10000 hr Bio P,A,S)

PROPERTIES OF: Alcohols, C12-14


Molecular weight (g/mol)                             186.34

Aqueous solubility (mg/l)                              0

Vapour pressure (Pa)                                  0

               (atm)                                            0

               (mm Hg)                                       0

Henry 's law constant (Atm-m3/mol)            2.22E-005

Air-water partition coefficient                       0.000907914

Octanol-water partition coefficient (Kow)             134896

Log Kow                                               5.13

Biomass to water partition coefficient      26980.1

Temperature [deg C]                                   25

Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):

         -Primary tank       0.00     9818.05      10000.00

         -Aeration tank      0.00     9818.05      10000.00

         -Settling tank       0.00     9818.05      10000.00


                        STP Overall Chemical Mass Balance:


                             g/h              mol/h         percent


Influent                   1.00E+001        5.4E-002       100.00


Primary sludge             5.06E+000        2.7E-002       50.57

Waste sludge               3.00E+000        1.6E-002       30.04

Primary volatilization     1.73E-003        9.3E-006        0.02

Settling volatilization     4.06E-003        2.2E-005        0.04

Aeration off gas           1.09E-002        5.9E-005        0.11


Primary biodegradation     1.51E-002        8.1E-005        0.15

Settling biodegradation     3.88E-003        2.1E-005        0.04

Aeration biodegradation    5.11E-002        2.7E-004        0.51


Final water effluent        1.85E+000        9.9E-003       18.52


Total removal               8.15E+000        4.4E-002       81.48

Total biodegradation      7.00E-002        3.8E-004        0.70