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EC number: 200-471-4 | CAS number: 60-34-4
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- not applicable (QSAR)
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- QSAR estimate by an internationally recognized QSAR, within its applicability domain, with correct recognition of the chemical family (hydrazines) and of the compound structure, and based on several experimental data (boiling point, melting point, vapour pressure) which were correctly re-estimated by this QSAR.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- EPI Suite Results For CAS 000060-34-4
- Author:
- Anonymous
- Year:
- 2 010
- Bibliographic source:
- US EPA's Office of Pollution Prevention and Toxics + Syracuse Research Corporation, Estimation Programs Interface (EPI) Suite, v4.00
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPIsuite v4.00
- Media:
- other: Air - Water - Soil - Sediment
Test material
- Reference substance name:
- Methylhydrazine
- EC Number:
- 200-471-4
- EC Name:
- Methylhydrazine
- Cas Number:
- 60-34-4
- Molecular formula:
- CH6N2
- IUPAC Name:
- methylhydrazine
Constituent 1
Study design
- Test substance input data:
- QSAR estimation by Level III Fugacity Model, based on following:
- identification data: SMILES= N(N)C, CAS= 000060-34-4 (software recognizes structure, name and ECOSAR Class= hydrazines)
- experimental input: boiling point, melting point, vapour pressure: values as in IUCLID
- direct emissions to air, water and soil at 1000 kg/h each are considered
Results and discussion
Percent distribution in media
- Other distribution results:
- The total persistence time and the % in each compartment depend on type of emissions (air, water and/or soil).
Degradation half-lives do not depend on emission routes:
- Air: 0.257 h (15 min)
- Water: 360 h (15 days)
- Soil: 720 h (1 month)
- Sediment: 3240 h (>4 months)
Any other information on results incl. tables
coherence of other estimates vs. experimental data:
- boiling point: 59.42°C vs. 87.5°C (8% difference when converted in °K: good)
- melting point: -57.59°C vs. -52.4°C (2% difference when converted in °K: very good)
- vapour pressure: 50 mmHg vs. 63.7 mmHg (27% difference: acceptable)
These data validate the relevance of the estimates.
Applicant's summary and conclusion
- Executive summary:
The fugacity has been estimated by QSAR using EPIsuite v4.00.
The estimated half-lives indicate quick degradation in air (15 min), slower but still significant degradation in water (15 days), some persistence in soil (1 month) and a clear persistence in sediment (>4 months).
The total persistence time and the % in each compartment depend on type of emissions (air, water and/or soil). The most likely case would be direct emission to air and water since there is no direct exposure of soil based on UDS for the substance. For 1000 kg/h to air and water, the following results are obtained:
- Air: 0.1%
- Water: 94.6%
- Soil: 5.1%
- Sediment: 0.23%
- Persistence Time: 183 h (<8 days)
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