- InChI
- InChI=1S/C13H17NO3/c1-9(14-10(2)15)13(17-11(3)16)12-7-5-4-6-8-12/h4-9,13H,1-3H3,(H,14,15)
- InChI Key
- NGGHWHVNIDFSQK-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- CC(=O)NC(C)C(OC(C)=O)c1ccccc1
- Molecular Weight1
- 235.28
- Other Names
-
- Norephedrine, 2AC
- 2-Amino-1-propanol, 1-phenyl, N,O-diacetyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5893 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.815 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Inp | [1805.00; 1805.00] |
|
|
| Inp | 1805.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Inp | 1805.00 | NIST | |
| Tboil | 560.76 | K | Relay (1.0) Calculated Property |
| Tc | 788.74 | K | Relay (1.0) Calculated Property |
| Tfus | 346.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.01; 587.76] | J/mol×K | [702.97; 920.12] |
|
| Cp,gas | 516.01 | J/mol×K | 702.97 | Joback Calculated Property |
| Cp,gas | 530.40 | J/mol×K | 739.16 | Joback Calculated Property |
| Cp,gas | 543.78 | J/mol×K | 775.35 | Joback Calculated Property |
| Cp,gas | 556.18 | J/mol×K | 811.54 | Joback Calculated Property |
| Cp,gas | 567.62 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 578.14 | J/mol×K | 883.93 | Joback Calculated Property |
| Cp,gas | 587.76 | J/mol×K | 920.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 1-acetoxy-1-phenyl-2-propyl-.
Sources
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