- InChI
- InChI=1S/C14H21NO/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16/h6-10H,1-5H3,(H,15,16)
- InChI Key
- FBMIRBWQIPKRAB-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CC(O)=Nc1c(C(C)C)cccc1C(C)C
- Molecular Weight1
- 219.32
- CAS
- 16637-13-1
- 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 | 0.7312 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -233.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.541 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Tboil | 575.62 | K | Relay (1.0) Calculated Property |
| Tc | 786.56 | K | Relay (1.0) Calculated Property |
| Tfus | 379.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.693 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, 2,6-diisopropyl-.
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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