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EC number: 211-443-6 | CAS number: 645-45-4
Endpoint summary
Administrative data
Description of key information
Appearance:
From the above source it is concluded that 3-phenylpropanoyl chloride is a clear liquid, yellow in color.
Melting point :
melting point of 3-phenylpropanoyl chloride was estimated to be -2 Deg C
Boiling Point :
boiling point of the 3 -phenylpropanoyl chloride is to be 225 Deg C.
Density :
From the above source & study density of 3-phenylpropanoyl chloride is determined to be 1.135 g/cm3 at 21 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
Vapour pressure :
The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25 deg C was 6.8927 Pa.
Partition coefficient :
The estimated logPOW from above source of the 3-phenylpropanoyl chloride was 1.73
Water solubility :
Water solubility of the 3-phenylpropanoyl chloride from above study is determined to be 2092 mg/L at 25 Deg C
Surface tension :
Surface tension of the 3-phenylpropanoyl chloride from above source is predicted to be 0.0386 N/m
Flash point :
Flash point of the 3-phenylpropanoyl chloride from above source is determined to be 108 Deg C
Auto flammability :
3-phenylpropanoyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3-phenylpropanoyl chloride is not auto-flammable.
Flammability :
3-phenylpropanoyl 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 3-phenylpropanoyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-phenylpropanoyl 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
other: Liquids do not need to be tested for sensitivity towards friction
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:
From the above source it is concluded that 3-phenylpropanoyl chloride is a clear liquid, yellow in color.
Melting point :
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 3-phenylpropanoyl chloride was predicted.
The melting point of 3-phenylpropanoyl chloride was estimated to be -2 ˚C.
Boiling Point :
Boiling point of the 3-phenylpropanoyl chloride is to be 225 Deg C & 105 Deg C at 10 torr.
From the other studies it is concluded that boiling point of the 3 -phenylpropanoyl chloride is to be 511.33 K (238.18 Deg C) & 107 Deg C at pressure of 11 mmHg.
Density :
From the above study & authoritative database density of 3-phenylpropanoyl chloride is determined to be 1.135 g/cm3 at 21 Deg C.
And the other study concluded that the density of 3-phenylpropanoyl chloride is 1.145 g/cm3
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
Vapour pressure :
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the 3 -phenylpropanoyl chloride using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the 3-phenylpropanoyl chloride at 25deg C was 6.8927 Pa.
Other reliable source gives the vapour pressure of the 3 -phenylpropanoyl chloride is 8.0793 Pa at 25 Deg C.
Partition coefficient :
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the 3-phenylpropanoyl chloride.
The estimated logPOW of the 3-phenylpropanoyl chloride was 1.73
Based on the estimated value, the 3-phenylpropanoyl chloride can be considered hydrophillic/hydrophobic in nature, which is also supported by the water solubility of the 3-phenylpropanoyl chloride.
Water solubility :
WSKOW v1.42 was used to estimate the water solubility of the 3 phenylpropionylchloride
The estimated water solubility of the 3 phenylpropionylchloride at 25 deg C was 2092 mg/l
Based on the estimated value, the 3 phenylpropionylchloride was soluble in water.
Water solubility of the 3 -phenylpropanoyl chloride from above source & study is determined to be 2090 mg/L at 25 Deg C
Surface tension :
Surface tension of the 3-phenylpropanoyl chloride from above source is predicted to be 0.0386 N/m
Flash point :
Flash point of the 3-phenylpropanoyl chloride from above source is determined to be 108 Deg C
Auto flammability :
3-phenylpropanoyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3-phenylpropanoyl chloride is not auto-flammable.
Flammability :
3-phenylpropanoyl 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 3-phenylpropanoyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-phenylpropanoyl 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
other: Liquids do not need to be tested for sensitivity towards friction
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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