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EC number: 220-476-5 | CAS number: 2778-96-3
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of test chemical was observed to be an organic solid in the form of pellets or large crystals.
Melting point/ Freezing point:
The melting point of test chemical is determined to be 56 °C.
Boiling point:
Based on prediction done using MPBPVP v1.43, the Boiling point of test chemical was estimated to be 546.25 ˚C.
Density:
The density of test chemical was estimated to be 0.857 ± 0.06 g/cm3 at 20 °C and 760 mm Hg pressure.
Particle size distribution (Granulometry):
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size was determined to be in the range of 150 - 25 microns.
Vapour pressure:
The estimated vapour pressure of test chemical at 25°C was 2.16E-09 Pa.
Partition coefficient:
The experimental logPow value of test chemical was 17.09. On the basis of this value test chemical can be considered highly hydrophobic in nature, which also supported by its very low solubility in water.
Water solubility:
The estimated water solubility test chemical at 25°C was 2.871E-012 mg/l.
Surface tension:
The study does not need to be conducted because surface activity is not a desired property of the material
Flash point:
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids
Autoflammability:
Test chemical not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical 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 test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus chemical was considered non-flammable.
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.
Oxidising properties:
The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied
Additional information
Appearance / physical state / colour:
Based on available data from reliable handbook and authoritative database, the appearance of test chemical was observed to be an organic solid in the form of pellets or large crystals.
Other supporting data from authoritative database, also suggested the test chemical was observed to be organic solid in appearance.
Melting point/ Freezing point:
Based on available data from reliable handbooks, the melting point of test chemical was determined to be 56 °C.
Other supporting data from handbook, peer reviewed publication and authoritative databases also determined the meting point of test chemical as 60°C,in the range of 58.9 degree C to 59 degree C and 62 degree C respectively.
Boiling point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of test chemical was predicted. The boiling point of chemical was estimated to be 546.25˚C.
Other supporting data from authoritative database Scifinder, also estimated the boiling point of test chemical as 549.1 ± 18.0 °C at 760 torr pressure.
Density:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of test chemical was estimated to be 0.857 ± 0.06 g/cm3 at 20 °C and 760 mm Hg pressure.
Particle size distribution (Granulometry):
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size was determined to be in the range of 150 - 25 microns.
Vapour pressure:
MPBPVP v1.43 was used to estimate the vapor pressure of test chemical. The estimated vapour pressure of test chemical at 25 degC was 2.16E-09 Pa.
Partition coefficient:
The experimental logPow value of test chemical was determined to be 17.09 dimensionless. In next study the KOWWIN v1.68 was used to estimate the octanol water partition coefficient of chemical. The estimated logPow of test chemical was 16.58.
The experimental and estimated values indicate that test chemical is highly hydrophobic in nature, which is also supported by its very low solubility in water.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of test chemical. The estimated water solubility of test chemical at 25°C was 2.871E-012 mg/l. This value suggests that test chemical is considered to be highly insoluble in water.
Surface tension:
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point:
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
Autoflammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical 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 chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus test chemical was considered non-flammable.
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.
Oxidising properties:
The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied
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