- InChI
- InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
- InChI Key
- KSNXJLQDQOIRIP-UHFFFAOYSA-N
- Formula
- C4H3IN2O2
- SMILES
- O=c1[nH]cc(I)c(=O)[nH]1
- Molecular Weight1
- 237.98
- CAS
- 696-07-1
- Other Names
-
- 2,4(1H,3H)-Pyrimidinedione, 5-iodo-
- 2,4-dihydroxy-5-iodopyrimidine
- 5-iodo-2,4-pyrimidinedione
- NSC 57848
- Uracil, 5-iodo-
- pyrimidine, 2,4-dihydroxy-5-iodo-
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | 0.10 | Crippen Calculated Property | |
| logPoct/wat | -1.296 | Crippen Calculated Property | |
| McVol | 100.980 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [150.90; 177.50] | J/mol×K | [298.15; 343.15] | 
|
| Cp,solid | 150.90 | J/mol×K | 298.15 | Heat Ca... |
| Cp,solid | 153.90 | J/mol×K | 303.15 | Heat Ca... |
| Cp,solid | 156.80 | J/mol×K | 308.15 | Heat Ca... |
| Cp,solid | 159.80 | J/mol×K | 313.15 | Heat Ca... |
| Cp,solid | 162.80 | J/mol×K | 318.15 | Heat Ca... |
| Cp,solid | 165.80 | J/mol×K | 323.15 | Heat Ca... |
| Cp,solid | 168.60 | J/mol×K | 328.15 | Heat Ca... |
| Cp,solid | 170.30 | J/mol×K | 333.15 | Heat Ca... |
| Cp,solid | 172.70 | J/mol×K | 338.15 | Heat Ca... |
| Cp,solid | 177.50 | J/mol×K | 343.15 | Heat Ca... |
| ΔsubH | 127.00 | kJ/mol | 386.50 | NIST |
Similar Compounds
Find more compounds similar to 5-Iodouracil.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Thermodynamic Investigation of Uracil and Its Halo Derivatives. Enthalpies of Solution and Solvation in Methanol
- Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
- Solubilities in Water of Uracil and Its Halogenated Derivatives
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.