- InChI
- InChI=1S/C14H21NO/c1-9-7-10(2)13(15-11(3)16)12(8-9)14(4,5)6/h7-8H,1-6H3,(H,15,16)
- InChI Key
- FVHRNYIVAVWDKU-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CC(O)=Nc1c(C)cc(C)cc1C(C)(C)C
- Molecular Weight1
- 219.32
- CAS
- 110491-71-9
- 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 | 0.7281 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -242.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.209 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Tboil | 585.57 | K | Relay (1.0) Calculated Property |
| Tc | 792.96 | K | Relay (1.0) Calculated Property |
| Tfus | 372.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, 6-tert-butyl-2,4-dimethyl-.
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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