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EC number: 217-950-9 | CAS number: 2016-42-4
Melting point / freezing point
Administrative data
Link to relevant study record(s)
Description of key information
Melting point collected from an authoritative database: 38-40°C (GESTIS, 2014)
Melting point collected from secondary data: 36-40°C (Reaxys, 2014) or 83.1°C (PhysProp, 2014)
Melting point predicted from scientifically valid (Q)SAR models: 55.88°C(Kovarich, 2014)
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 38 °C
Additional information
For the determination of the melting point of Tetradecylamine, four data are reported: one from an authoritative database (GESTIS, 2014), two from secondary sources (Reaxys, 2014; PhysProp, 2014) and one from (Q)SAR predictions (Kovarich, 2014).
The GESTIS Substance Database reports a melting point in the range 38-40°C for Tetradecylamine. Although no other details are provided, this value is considered reliable with restrictions (Klimisch 2) as it comes from an authoritative database. Besides, melting points in the range 36-40°C are reported in the literature for Tetradecylamine (Reaxys, 2014). Although those values are not assignable (Klimisch 4) as the original publications were not consulted, they were used in a weight-of-evidence approach, together with the Klimisch 2 data from the GESTIS Substance Database, to determine the melting point of Tetradecylamine. Considering the ranges of 38-40°C and 36-40°C reported in the above-mentionned data sources, a representative melting point of 38°C was retained as key value for the assessment.
Besides, the melting point of Tetradecylamine was estimated on the basis of adequate (Q)SAR predictions from a scientifically valid model: EPISuite/MPBPVP (Kovarich, 2014). This model fulfils the characterisation criteria specified in the OECD Guidance Document on the validation of (Q)SAR models. Using EPISuite/MPBPVP, a melting point equal to 55.88°C was predicted for Tetradecylamine (Klimich 2). Despite the target chemical is included in the MW ranges of the test set, based on the overall low accuracy of MPBPVP melting point estimation method it is assumed that the melting point prediction is of little reliability. Hence, the predicted melting point of 55.88°C was considered not reliable (Klimisch 3) and was disregarded from the assessment. As well, the melting point of 83.1°C collected from the PhysProp database was disregarded from the assessment as it is not assignable (Klimisch 4) and largely exceeds other melting point values found in the literature.
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