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EC number: 205-592-6 | CAS number: 143-22-6
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Henry's Law constant
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 2.40E-006 Pa-m3/mole), which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Bond Est : 2.36E-011 atm-m3/mole (2.40E-006 Pa-m3/mole)
Group Est: 9.52E-014 atm-m3/mole (9.64E-009 Pa-m3/mole)
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
Henry's Law constant
Henry's Law constant The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 2.40E-006 Pa-m3/mole), which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Bond Est : 2.36E-011 atm-m3/mole (2.40E-006 Pa-m3/mole)
Group Est: 9.52E-014 atm-m3/mole (9.64E-009 Pa-m3/mole)
SMILES : O(CCOCCOCCO)CCCC
CHEM : 2-(2-(2-butoxyethoxy)ethoxy)ethanol
MOL FOR: C10 H22 O4
MOL WT : 206.28
HENRYWIN v3.20 Results
CLASS |
BOND CONTRIBUTION DESCRIPTION |
COMMENT |
VALUE
|
HYDROGEN |
21 Hydrogen to Carbon (aliphatic) Bonds
|
|
-2.5132 |
HYDROGEN |
1 Hydrogen to Oxygen Bonds |
|
3.2318
|
FRAGMENT |
6 C-C |
|
0.6978
|
FRAGMENT |
7 C-O |
|
7.5983
|
RESULT |
BOND ESTIMATION METHOD for LWAPC VALUE |
TOTAL |
9.015
|
HENRYs LAW CONSTANT at 25 deg C = 2.36E-011 atm-m3/mole
= 9.67E-010 unitless
= 2.40E-006 Pa-m3/mole
|
GROUP CONTRIBUTION DESCRIPTION |
COMMENT |
VALUE
|
|
1 CH3 (X) |
|
-0.62
|
|
2 CH2 (C)(C) |
|
-0.30 |
|
7 CH2 (C)(O) |
|
-0.91 |
|
1 O-H (C) |
|
4.45
|
|
3 O (C)(C) |
|
8.79
|
RESULT |
GROUP ESTIMATION METHOD for LOG GAMMA VALUE |
TOTAL |
11.41
|
HENRYs LAW CONSTANT at 25 deg C = 9.52E-014 atm-m3/mole
= 3.89E-012 unitless
= 9.64E-009 Pa-m3/mole
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