17a-Ethynylestradiol
- SMILES
- CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
- CAS number
- 57-63-6
- Formula
- C20 H24 O2
- Molecular weight
- Melting point
-
- Entropy of fusion
-
|
not specified
|
ΔfusS/J K-1 mol-1
|
|
Vapor pressure
| t/°C |
PS/Pa |
PL/Pa |
log (PL/Pa) |
method and notes |
reference |
| 25 |
2.60E-7 |
1.15E-5 |
-4.94 |
EPI Suite estimation |
|
Water solubility
| t/°C |
SWS/mol m-3 |
SWL/mol m-3 |
log (SWL/mol m-3) |
method and notes |
reference |
| not specified |
Henry's law constant
| t/°C |
H/Pa m3 mol-1 |
KAW |
log (KAW) |
method and notes |
reference |
| 25 |
|
9.14E-10 |
-9.04 |
EPI Suite estimation |
|
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
1.32E+4 |
4.12 |
EPI Suite estimation |
|
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
1.44E+13 |
13.2 |
EPI Suite estimation |
|
Half-life for degradation in air
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
0.1 |
EPI Suite estimation |
|
Half-life for degradation in water
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
60 |
EPI Suite estimation |
|
Half-life for degradation in soil
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
120 |
EPI Suite estimation |
|
Half-life for degradation in sediment
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
542 |
EPI Suite estimation |
|
