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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, 5-methyl-3-phenylisoxazole-4-carbonyl chloride was observed to be a pale yellow solid.

Melting point:

Melting point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride determine in the range between 24 to 25 Deg C.

Boiling Point:

Boiling point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride determine to be in the range of 165 to 170 Deg C at pressure 1.999 kPa.

Density:

Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.

Particle size distribution:

The particle size distribution of 5-methyl-3-phenylisoxazole-4-carbonyl chloride  was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapour pressure:

The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa

Partition coefficient:

Based on the available data from modeling databases using the KOWWIN V1.68 program, the partition coefficient (log Pow) value of the substance 5 -methyl-3 -phenyl-1,2 -oxazole-4 -carbonyl chloridewas estimated to be 1.97. On the basis of this value, chemical 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride can be considered to be hydrophilic in nature.

Water solubility:

The estimated water solubility of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 701.8 mg/l.

Surface tension:

Based on the data from ACD labs, surface tension for 5-methyl-3-phenylisoxazole-4-carbonyl chloride was predicted to be 0.0454 N/m.

Flash point:

The flash point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride is concluded to be greater than 100 Deg C.

Auto flammability:

5-methyl-3 -phenylisoxazole-4 -carbonyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that  5 -methyl-3 -phenylisoxazole-4 -carbonyl chloride is not auto-flammable.

Flammability:

5-methyl-3-phenylisoxazole-4-carbonyl chloride 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 5-methyl-3-phenylisoxazole-4-carbonyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 5-methyl-3-phenylisoxazole-4-carbonyl chloride 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 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:

On the basis of physical observation and using the sense of smell, 5-methyl-3-phenylisoxazole-4-carbonyl chloride was observed to be a pale yellow solid.

Melting point:

Melting point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride determine in the range between 24 to 25 Deg C.

From other reliable source melting point of 5 -methyl-3 -phenylisoxazole-4 -carbonyl chloride concluded to be 25 Deg C.

Boiling Point:

Boiling point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride determine to be in the range of 165 to 170 Deg C at pressure 1.999 kPa.

Density:

Based on prediction done using ACD/I-Lab 2.0, the density of 5-methyl-3-phenylisoxazole-4-carbonyl chloride was estimated to be 1.278 g/cm3.

Particle size distribution:

The particle size distribution of 5-methyl-3-phenylisoxazole-4-carbonyl chloride  was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 0.00652 Pa.

Partition coefficient:

Based on the available data from modeling databases using the KOWWIN V1.68 program, the partition coefficient (log Pow) value of the substance 5 -methyl-3 -phenyl-1,2 -oxazole-4 -carbonyl chloride was estimated to be 1.97. On the basis of this value, chemical 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride can be considered to be hydrophilic in nature.

Water solubility:

WSKOW v1.42 was used to estimate the water solubility of 5-methyl-3-phenylisoxazole-4-carbonyl chloride.

The estimated water solubility of 5-methyl-3-phenylisoxazole-4-carbonyl chloride at 25 deg C was 701.8 mg/l.

Based on the estimated value, 5-methyl-3-phenylisoxazole-4-carbonyl chloride was moderately soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for 5-methyl-3-phenylisoxazole-4-carbonyl chloride was predicted to be 0.0454 N/m.

Flash point:

The flash point of 5-methyl-3-phenylisoxazole-4-carbonyl chloride is concluded to be greater than 100 Deg C.

Auto flammability:

5-methyl-3 -phenylisoxazole-4 -carbonyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that  5 -methyl-3 -phenylisoxazole-4 -carbonyl chloride is not auto-flammable.

Flammability:

5-methyl-3-phenylisoxazole-4-carbonyl chloride 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 5-methyl-3-phenylisoxazole-4-carbonyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 5-methyl-3-phenylisoxazole-4-carbonyl chloride 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 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.