- InChI
- InChI=1S/C16H25NO/c1-4-6-9-14(5-2)12-17-16(18)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,17,18)
- InChI Key
- PVGAZWSAFDFZLF-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCC(CC)CN=C(O)c1cccc(C)c1
- Molecular Weight1
- 247.38
- 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 | 0.8515 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -305.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.516 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Inp | [2079.00; 2079.00] |
|
|
| Inp | 2079.00 | NIST | |
| Inp | 2079.00 | NIST | |
| Tboil | 625.43 | K | Relay (1.0) Calculated Property |
| Tc | 819.36 | K | Relay (1.0) Calculated Property |
| Tfus | 315.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-methyl-N-(2-ethylhexyl)-.
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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