- InChI
- InChI=1S/C10H15N5O4/c11-2-8(16)13-4-9(17)15-7(10(18)19)1-6-3-12-5-14-6/h3,5,7H,1-2,4,11H2,(H,12,14)(H,13,16)(H,15,17)(H,18,19)
- InChI Key
- PDAWDNVHMUKWJR-UHFFFAOYSA-N
- Formula
- C10H15N5O4
- SMILES
-
NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C
(=O)O - Molecular Weight1
- 269.26
- CAS
- 7451-76-5
- ω : Acentric Factor.
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.9781 | Relay (... Calculated Property | |
| BasG | 979.50 | kJ/mol | NIST |
| ΔfG° | -134.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -564.49 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 136.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -0.97 | Relay (... Calculated Property | |
| logPoct/wat | -2.885 | Crippen Calculated Property | |
| McVol | 192.780 | ml/mol | McGowan Calculated Property |
| Pc | 3531.83 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 641.13 | K | Relay (... Calculated Property |
| Tc | 996.05 | K | Relay (... Calculated Property |
| Tfus | 515.12 | K | Relay (... Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to gly-gly-his.
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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