- InChI
- InChI=1S/C18H29NO/c1-11(2)15-9-14(18(6,7)8)10-16(12(3)4)17(15)19-13(5)20/h9-12H,1-8H3,(H,19,20)
- InChI Key
- BQEQSRVMHCNBTC-UHFFFAOYSA-N
- Formula
- C18H29NO
- SMILES
-
CC(O)=Nc1c(C(C)C)cc(C(C)(C)C)c
c1C(C)C - Molecular Weight1
- 275.43
- 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 | 0.7984 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -337.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.839 | Crippen Calculated Property | |
| McVol | 252.270 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Tboil | 589.98 | K | Relay (1.0) Calculated Property |
| Tc | 819.52 | K | Relay (1.0) Calculated Property |
| Tfus | 402.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.909 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, 2,6-di-isopropyl-4-tert-butyl-.
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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