- InChI
- InChI=1S/C8H15N3O3/c1-11(2)6-10-8(13)9-5-4-7(12)14-3/h6H,4-5H2,1-3H3,(H,9,13)
- InChI Key
- COFCLGWBZRZWHF-UHFFFAOYSA-N
- Formula
- C8H15N3O3
- SMILES
- COC(=O)CCNC(=O)N=CN(C)C
- Molecular Weight1
- 201.22
- 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 | 0.6947 | Relay (... Calculated Property | |
| ΔfG° | -54.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -515.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -1.21 | Relay (... Calculated Property | |
| logPoct/wat | -0.151 | Crippen Calculated Property | |
| McVol | 158.230 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| Inp | [1847.00; 1847.00] |
|
|
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Tboil | 559.51 | K | Relay (... Calculated Property |
| Tc | 749.05 | K | Relay (... Calculated Property |
| Tfus | 356.01 | K | Relay (... Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ureidopropionic acid, N-dimethylaminomethylene-, methyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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