- InChI
- InChI=1S/C12H17NO2/c1-9(2)11(8-14)13-12(15)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H,13,15)
- InChI Key
- CPFYFTYVCYKOBY-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CC(C)C(CO)N=C(O)c1ccccc1
- Molecular Weight1
- 207.27
- CAS
- 92265-07-1
- 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).
- 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 | 0.8208 | Relay (... Calculated Property | |
| ΔfG° | -19.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -337.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 112.57 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -1.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.008 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Tboil | 604.26 | K | Relay (... Calculated Property |
| Tc | 831.03 | K | Relay (... Calculated Property |
| Tfus | 381.31 | K | Relay (... Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to N-2-(1-hydroxy-3-methyl) butylbenzamide.
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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