![Acetamide, N-[2-[4-(acetyloxy)phenyl]ethyl]-](/cid/94-095-3/Acetamide-N-2-4-acetyloxy-phenyl-ethyl.png "Acetamide, N-[2-[4-(acetyloxy)phenyl]ethyl]-")
- InChI
- InChI=1S/C12H15NO3/c1-9(14)13-8-7-11-3-5-12(6-4-11)16-10(2)15/h3-6H,7-8H2,1-2H3,(H,13,14)
- InChI Key
- RNDRBPVTMKQIBA-UHFFFAOYSA-N
- Formula
- C12H15NO3
- SMILES
- CC(=O)Oc1ccc(CCN=C(C)O)cc1
- Molecular Weight1
- 221.25
- CAS
- 14383-56-3
- Other Names
-
- Acetamide, N-(p-hydroxyphenethyl)-, acetate (ester)
- N,O-Diacetyltyramine
- O4N-Diacetyltyramine
- Tyramine 2AC
- 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 | 0.7994 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -489.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.131 | Crippen Calculated Property | |
| McVol | 175.170 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 612.31 | K | Relay (1.0) Calculated Property |
| Tc | 807.84 | K | Relay (1.0) Calculated Property |
| Tfus | 352.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-[2-[4-(acetyloxy)phenyl]ethyl]-.
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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