- InChI
- InChI=1S/C15H23NO2/c1-4-5-6-8-12(2)16-15(17)13-9-7-10-14(11-13)18-3/h7,9-12H,4-6,8H2,1-3H3,(H,16,17)
- InChI Key
- GYSRQHDAQQUDSR-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CCCCCC(C)N=C(O)c1cccc(OC)c1
- Molecular Weight1
- 249.35
- 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 | 0.8661 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -388.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.969 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | [2084.00; 2084.00] |
|
|
| Inp | 2084.00 | NIST | |
| Inp | 2084.00 | NIST | |
| Tboil | 617.43 | K | Relay (1.0) Calculated Property |
| Tc | 820.79 | K | Relay (1.0) Calculated Property |
| Tfus | 345.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methoxy-N-(hept-2-yl)-.
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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