- InChI
- InChI=1S/C8H11N3O3/c1-5(12)9-8-10(3)4-7(14)11(8)6(2)13/h4H2,1-3H3
- InChI Key
- VVYMPEHIEORSFO-UHFFFAOYSA-N
- Formula
- C8H11N3O3
- SMILES
- CC(=O)N=C1N(C)CC(=O)N1C(C)=O
- Molecular Weight1
- 197.19
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- Inp : Non-polar retention indices.
- 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 | 0.6373 | Relay (... Calculated Property | |
| ΔfG° | -61.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -427.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -1.38 | Relay (... Calculated Property | |
| logPoct/wat | -0.791 | Crippen Calculated Property | |
| McVol | 143.070 | ml/mol | McGowan Calculated Property |
| Pc | 3254.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2215.00; 2215.00] |
|
|
| Inp | 2215.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Tboil | 540.45 | K | Relay (... Calculated Property |
| Tc | 781.99 | K | Relay (... Calculated Property |
| Tfus | 438.13 | K | Relay (... Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Creatinine, N,N'-di(acetyl)-.
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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