1,7-dimethylxanthine/ Paraxanthine
- SMILES
- CN1C=NC2=C1C(=O)N(C(=O)N2)C
- CAS number
- 611-59-6
- Formula
- C7 H8 N4 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 |
1.09E-6 |
5.88E-5 |
-4.23 |
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 |
|
7.16E-11 |
-10.1 |
EPI Suite estimation |
|
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
0.407 |
-0.39 |
EPI Suite estimation |
|
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
8.41E+9 |
9.93 |
EPI Suite estimation |
|
Half-life for degradation in air
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
0.2 |
EPI Suite estimation |
|
Half-life for degradation in water
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
15 |
EPI Suite estimation |
|
Half-life for degradation in soil
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
30 |
EPI Suite estimation |
|
Half-life for degradation in sediment
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
135 |
EPI Suite estimation |
|
