Citalopram
- SMILES
- CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
- CAS number
- 59729-33-8
- Formula
- C20 H21 F1 N2 O1
- 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 |
1.51E-5 |
4.07E-4 |
-3.39 |
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 |
|
1.10E-9 |
-8.96 |
EPI Suite estimation |
|
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
5.50E+3 |
3.74 |
EPI Suite estimation |
|
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
5.00E+12 |
12.7 |
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 |
180 |
EPI Suite estimation |
|
Half-life for degradation in soil
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
360 |
EPI Suite estimation |
|
Half-life for degradation in sediment
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
1621 |
EPI Suite estimation |
|
