- InChI
- InChI=1S/C21H35NO3/c1-4-5-6-7-8-9-10-11-12-13-16-22-21(23)18-14-15-19(24-2)20(17-18)25-3/h14-15,17H,4-13,16H2,1-3H3,(H,22,23)
- InChI Key
- AOJDDHRWDUBGPM-UHFFFAOYSA-N
- Formula
- C21H35NO3
- SMILES
-
CCCCCCCCCCCCN=C(O)c1ccc(OC)c(O
C)c1 - Molecular Weight1
- 349.51
- 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 | 1.1862 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -634.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 134.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.929 | Crippen Calculated Property | |
| McVol | 306.280 | ml/mol | McGowan Calculated Property |
| Pc | 1129.86 | kPa | Joback Calculated Property |
| Inp | [2976.00; 2976.00] |
|
|
| Inp | 2976.00 | NIST | |
| Inp | 2976.00 | NIST | |
| Tboil | 674.47 | K | Relay (1.0) Calculated Property |
| Tc | 884.35 | K | Relay (1.0) Calculated Property |
| Tfus | 392.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-dodecyl-.
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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