- InChI
- InChI=1S/C13H21N3O/c1-6-17-12-9-7-8-11(10-12)14-13(15(2)3)16(4)5/h7-10H,6H2,1-5H3
- InChI Key
- KEINSPTYZUKPIE-UHFFFAOYSA-N
- Formula
- C13H21N3O
- SMILES
- CCOc1cccc(N=C(N(C)C)N(C)C)c1
- Molecular Weight1
- 235.33
- 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 | 0.6766 | Relay (... Calculated Property | |
| ΔfG° | 307.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -14.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.95 | kJ/mol | Relay (... Calculated Property |
| IE | 7.08 | eV | Relay (... Calculated Property |
| log10WS | -2.83 | Relay (... Calculated Property | |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [1801.00; 1801.00] |
|
|
| Inp | 1801.00 | NIST | |
| Inp | 1801.00 | NIST | |
| Tboil | 578.76 | K | Relay (... Calculated Property |
| Tc | 778.09 | K | Relay (... Calculated Property |
| Tfus | 333.37 | K | Relay (... Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to N''-(3-ethoxy-phenyl)-N,N,N',N'-tetramethyl -guanidine.
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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