- InChI
- InChI=1S/C12H24N4O2/c1-15(2)9-13-8-6-7-11(12(17)18-5)14-10-16(3)4/h9-11H,6-8H2,1-5H3
- InChI Key
- ASPXRROIPAMVOV-UHFFFAOYSA-N
- Formula
- C12H24N4O2
- SMILES
- COC(=O)C(CCCN=CN(C)C)N=CN(C)C
- Molecular Weight1
- 256.34
- 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 | 0.7139 | Relay (1.0) Calculated Property | |
| ΔfG° | 145.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -305.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.488 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1562.28 | kPa | Joback Calculated Property |
| Inp | 1906.00 | NIST | |
| Tboil | 580.27 | K | Relay (1.0) Calculated Property |
| Tc | 770.91 | K | Relay (1.0) Calculated Property |
| Tfus | 316.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to D-Ornithine, 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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