- InChI
- InChI=1S/C14H22N2O/c1-14(2,3)13(16(4)5)15-11-8-7-9-12(10-11)17-6/h7-10H,1-6H3/b15-13+
- InChI Key
- ORKNPOVDAQCECI-FYWRMAATSA-N
- Formula
- C14H22N2O
- SMILES
- COc1cccc(N=C(N(C)C)C(C)(C)C)c1
- Molecular Weight1
- 234.34
- 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 | 0.6016 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -66.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [1746.00; 1746.00] |
|
|
| Inp | 1746.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Tboil | 564.48 | K | Relay (1.0) Calculated Property |
| Tc | 765.63 | K | Relay (1.0) Calculated Property |
| Tfus | 299.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyl-N'-(3-methoxyphenyl)-pivalamidine.
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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