- InChI
- InChI=1S/C13H19NO3/c1-3-9-17-13(16)14-10(2)12(15)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)
- InChI Key
- VIZIBJLJJLBAQN-UHFFFAOYSA-N
- Formula
- C13H19NO3
- SMILES
- CCCOC(=O)NC(C)C(O)c1ccccc1
- Molecular Weight1
- 237.29
- Other Names
-
- Norephedrine, N-propoxycarbonyl
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -115.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.245 | Crippen Calculated Property | |
| McVol | 193.560 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 741.28 | K | Joback Calculated Property |
| Tc | 940.82 | K | Joback Calculated Property |
| Tfus | 418.33 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.78; 621.35] | J/mol×K | [741.28; 940.82] | 
|
| Cp,gas | 555.78 | J/mol×K | 741.28 | Joback Calculated Property |
| Cp,gas | 568.73 | J/mol×K | 774.54 | Joback Calculated Property |
| Cp,gas | 580.83 | J/mol×K | 807.79 | Joback Calculated Property |
| Cp,gas | 592.11 | J/mol×K | 841.05 | Joback Calculated Property |
| Cp,gas | 602.61 | J/mol×K | 874.31 | Joback Calculated Property |
| Cp,gas | 612.35 | J/mol×K | 907.57 | Joback Calculated Property |
| Cp,gas | 621.35 | J/mol×K | 940.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norephedrine, N-propyloxycarbonyl-.
Sources
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