- InChI
- InChI=1S/C13H25N5O3/c1-17(2)9-15-11(12(19)21-5)7-6-8-14-13(20)16-10-18(3)4/h9-11H,6-8H2,1-5H3,(H,14,20)
- InChI Key
- ZLRCGUYJYWKIIV-UHFFFAOYSA-N
- Formula
- C13H25N5O3
- SMILES
-
COC(=O)C(CCCNC(=O)N=CN(C)C)N=C
N(C)C - Molecular Weight1
- 299.37
- CAS
- 59824-38-3
- Other Names
-
- l-Ornithine, N2-[(dimethylamino)methylene]-N5-[[[(dimethylamino)methylene]amino]carbonyl]-, methyl ester
- 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 | 0.8543 | Relay (... Calculated Property | |
| ΔfG° | 131.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -485.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.68 | kJ/mol | Relay (... Calculated Property |
| IE | 7.76 | eV | Relay (... Calculated Property |
| log10WS | -1.77 | Relay (... Calculated Property | |
| logPoct/wat | 0.198 | Crippen Calculated Property | |
| McVol | 244.340 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | [2587.00; 2587.00] |
|
|
| Inp | 2587.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Tboil | 607.65 | K | Relay (... Calculated Property |
| Tc | 832.03 | K | Relay (... Calculated Property |
| Tfus | 359.86 | K | Relay (... Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Citrulline, N,N'-bis(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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