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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
July 2010
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Atom/Fragment Contribution Method
Principles of method if other than guideline:
A Simplified Molecular Input Line Entry System (SMILES) string representing the compound of
interest was entered into EPI Suite. Although the KOWWIN uses only structure, experimental input
values were also entered, when known. Output files were saved as Microsoft Word documents,
printed, and retained in the study file for archive.
GLP compliance:
no
Type of method:
other:
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N-[ethenyl(N-ethylacetamido)methylsilyl]-N-ethylacetamide
EC Number:
643-078-7
Cas Number:
87855-59-2
Molecular formula:
C11 H22 N2 O2 Si Si(CH3)(CH=CH2)[N(CH2CH3)(C(=O)CH3)]2
IUPAC Name:
N-[ethenyl(N-ethylacetamido)methylsilyl]-N-ethylacetamide
Test material form:
solid: compact

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.438

Any other information on results incl. tables

EPI Suite Results For CAS 87855-59-2

SMILES : CC(=O)N(CC)[Si](N(CC)(C(=O)C))(C)C=C

CHEM : Methylvinylbis(n-ethylacetamido)silane

MOL FOR: C11 H22 N2 O2 Si1

MOL WT : 242.40

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : 198.00

Melting Point (deg C) : -50.00

Vapor Pressure (mm Hg) : 1.4799

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

KOWWIN Program (v1.67) Results:

===============================

Log Kow(version 1.67 estimate): 0.44

SMILES : CC(=O)N(CC)[Si](N(CC)(C(=O)C))(C)C=C

CHEM : Methylvinylbis(n-ethylacetamido)silane

MOL FOR: C11 H22 N2 O2 Si1

MOL WT : 242.40

-------+-----+--------------------------------------------+---------+--------

TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE

-------+-----+--------------------------------------------+---------+--------

Frag | 5 | -CH3 [aliphatic carbon] | 0.5473 | 2.7365

Frag | 2 | -CH2- [aliphatic carbon] | 0.4911 | 0.9822

Frag | 1 | =CH2 [olefinic carbon] | 0.5184 | 0.5184

Frag | 1 | =CH- or =C< [olefinc carbon] | 0.3836 | 0.3836

Frag | 2 | -N< [aliphatic attach] |-1.8323 | -3.6646

Frag | 2 | -C(=O)N [aliphatic attach] |-0.5236 | -1.0472

Frag | 1 | -Si- [silicon, aliphat attach (not oxy)] | 0.3004 | 0.3004

Const | | Equation Constant | | 0.2290

-------+-----+--------------------------------------------+---------+--------

NOTE | | This Si compound may react with water...Kow suspect!|

-------+-----+--------------------------------------------+---------+--------

Log Kow = 0.4383

Applicant's summary and conclusion

Conclusions:
The log P of methylvinylbis(n-ethylactamido)silane is estimated to be 0.4383. The log P of nethylacetamide
is estimated to be -0.2051. The log P of methylvinylsilanediol is estimated to be -
0.0525.
Executive summary:

The octanol-water partition coefficient is a physical property used to describe a chemical’s lipophilic

or hydrophobic properties. KOWWIN uses only a chemical structure to estimate the logarithmic

octanol-water partition coefficient (log P) of organic compounds. KOWWIN’s methodology is

known as an Atom/Fragment Contribution method. Coefficients for individual fragments and

groups were derived by multiple regression of 2447 reliably measured log P values. KOWWIN’s

reductionist fragment constant methodology differs from the constructionist fragment constant

methodology of Hansch and Leo.The log P of methylvinylbis(n-ethylactamido)silane is estimated to be 0.4383. The log P of nethylacetamide is estimated to be -0.2051. The log P of methylvinylsilanediol is estimated to be -0.0525.