- InChI
- InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
- InChI Key
- UFVWJVAMULFOMC-UHFFFAOYSA-N
- Formula
- C4H4IN3O
- SMILES
- N=c1[nH]c(O)ncc1I
- Molecular Weight1
- 237.00
- CAS
- 1122-44-7
- Other Names
-
- Cytosine, 5-iodo-
- 4-amino-5-iodopyrimidinone
- 4-Amino-5-iodo-2(1H)-pyrimidinone
- 2(1H)-Pyrimidinone, 4-amino-5-iodo-
- 5-Iodocytosine (4-amino-5-iodopyrimidinone)
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6033 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 19.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 129.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.283 | Crippen Calculated Property | |
| McVol | 105.090 | ml/mol | McGowan Calculated Property |
| Pc | 6888.24 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.41 | K | Relay (1.0) Calculated Property |
| Tc | 944.56 | K | Relay (1.0) Calculated Property |
| Tfus | 597.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 144.00 ± 1.50 | kJ/mol | 438.00 | NIST |
Similar Compounds
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)
Find more compounds similar to 5-Iodocytosine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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