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EC number: 219-440-1 | CAS number: 2437-25-4
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation it is concluded that dodecanenitrile physically appear as a colorless liquid.
Melting point:
The freezing point of chemical dodecanenitrile is determined to be 4 Deg C.
Boiling Point:
The boiling point of dodecanenitrile is determined to be 277 Deg C.
Density:
The density of dodecanenitrile is determined to be 0.8240 g/cm3 at temperature 20 Deg C.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation it is concluded that dodecanenitrile physically appear as a liquid.
Vapour pressure:
Vapour pressure of dodecanenitrile is determine to be 1.3332 kPa at temperature 140.47 Deg C & 202.6668 kPa at temperature 310.55 Deg C.
Partition coefficient
The partition coefficient (log Pow) value of the substance Dodecanenitrile was estimated to be 4.77. Based on the estimated value, chemical Dodecanenitrile can be considered to be hydrophobic in nature.
Water solubility:
Water solubility of Dodecanenitrile is determine to be 2.51 mg/L at 25 deg C. From this water solubility value it is concluded that dodecanenitrile slightly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for dodecanenitrile was predicted to be 0.0307 N/m.
Flash point:
The flash point of Dodecanenitrile is determined to be 118 Deg C.
Auto flammability:
Dodecanenitrile did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that dodecanenitrile is not auto-flammable.
Flammability:
Dodecanenitrile does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that dodecanenitrile is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus dodecanenitrile was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties:
The study does not need to be conducted because the organic substance does not contain oxygen or halogen atoms and hence, the classification procedure does not need to be applied.
Stability in organic solvents and identity of relevant degradation products:
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
pH of 1% w/v aqueous solution of the test substance Dodecanenitrile (CAS No.2437-25-4) is in the range of 5 to 6.5 at 25 °C.
Dissociation constant:
The study does not need to be conducted because the substance has no ionic structure.
Viscosity:
Viscosity of dodecanenitrile is determine to be 0.675 mPa.s at temperature 93.58 Deg C & 0.075 mPa.s at temperature 473.85 Deg C.
Additional information
Appearance:
On the basis of physical observation it is concluded that dodecanenitrile physically appear as a colorless liquid.
Freezing point:
Data from different handbooks & authorative databases indicates the freezing point of chemical dodecanenitrile to be 4 Deg C.
Boiling Point:
Data from different handbooks & authoritative databases indicates the boiling point of dodecanenitrile to be 277 Deg C.
Density:
Data from different handbooks & authorative databases indicates the density of dodecanenitrile to be 0.8240 g/cm3 at temperature 20 Deg C.
Supporting data from the other reliable sources also indicates the density of Dodecanenitrile as 0.8203 g/cm3 at 25 Deg c & 0.8168 g/cm3 at 30 Deg C which supports the selected key value.
Particle size distribution:
The study does not need to be conducted because the substance is marketed or used in a non solid or granular form. On the basis of physical observation it is concluded that dodecanenitrile physically appear as a liquid.
Vapour pressure:
Vapour pressure of dodecanenitrile is determine to be 1.3332 kPa at temperature 140.47 Deg C & 202.6668 kPa at temperature 310.55 Deg C.
From other reliable sources vapour pressure of dodecanenitrile concluded to be 3.3305E-5 kPa at temperature 36 Deg C & 529.8479 kPa at temperature 446.94 Deg C.
Partition coefficient
Based on the available data in a key study from handbook, authoritative and modeling databases, the octanol water partition coefficient (log Pow) value of the test substance Dodecanenitrile was estimated to be 4.77.
In a supporting study from secondary source, octanol water partition coefficient of the test substance Dodecanenitrile (CAS no. 2437-25-4) was calculated using Medchem Software CLOGP3. The partition coefficient (log Pow) value of the substance Dodecanenitrile was estimated to be 4.9 at 25°C.
Another supporting study from modeling database indicates that the octanol water partition coefficient of the test substance Dodecanenitrile was estimated to be 4.87 ± 0.19.
Thus, based on the available information, the logPow valueof the test substance Dodecanenitrile ranges from 4.77 to 4.9, respectively and thus chemical Dodecanenitrile can be considered to be hydrophobic in nature.
Water solubility:
From different handbooks & authorative databases, the water solubility of Dodecanenitrile is determined to be 2.51 mg/L at 25 deg C. From this water solubility value it is concluded that dodecanenitrile slightly soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for dodecanenitrile was predicted to be 0.0307 N/m.
Flash point:
Available data from Gestis database indicates the flash point of Dodecanenitrile to be 118 Deg C.
From other reliable source flash point of dodecanenitrile concluded to be greater than 109.85 Deg C.
Auto flammability:
Dodecanenitrile did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that dodecanenitrile is not auto-flammable.
Flammability:
Dodecanenitrile does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that dodecanenitrile is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus dodecanenitrile was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties:
The study does not need to be conducted because the organic substance does not contain oxygen or halogen atoms and hence, the classification procedure does not need to be applied.
Stability in organic solvents and identity of relevant degradation products:
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
pH of 1% w/v aqueous solution of the test substance Dodecanenitrile (CAS No.2437-25-4) is in the range of 5 to 6.5 at 25 °C.
Dissociation constant:
The study does not need to be conducted because the substance has no ionic structure.
Viscosity:
Viscosity of dodecanenitrile is determine to be 0.675 mPa.s at temperature 93.58 Deg C & 0.075 mPa.s at temperature 473.85 Deg C.
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