- InChI
- InChI=1S/C14H21NO3/c1-4-10-18-14(17)15(3)11(2)13(16)12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3
- InChI Key
- KZOUEQPHJOQWGH-UHFFFAOYSA-N
- Formula
- C14H21NO3
- SMILES
- CCCOC(=O)N(C)C(C)C(O)c1ccccc1
- Molecular Weight1
- 251.32
- Other Names
-
- Ephedrine, N-propoxycarbonyl
- 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).
- 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 | 0.7596 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 207.650 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Tboil | 582.49 | K | Relay (1.0) Calculated Property |
| Tc | 810.65 | K | Relay (1.0) Calculated Property |
| Tfus | 356.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.40; 667.12] | J/mol×K | [726.43; 921.38] | 
|
| Cp,gas | 595.40 | J/mol×K | 726.43 | Joback Calculated Property |
| Cp,gas | 609.45 | J/mol×K | 758.92 | Joback Calculated Property |
| Cp,gas | 622.61 | J/mol×K | 791.41 | Joback Calculated Property |
| Cp,gas | 634.92 | J/mol×K | 823.91 | Joback Calculated Property |
| Cp,gas | 646.42 | J/mol×K | 856.40 | Joback Calculated Property |
| Cp,gas | 657.14 | J/mol×K | 888.89 | Joback Calculated Property |
| Cp,gas | 667.12 | J/mol×K | 921.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ephedrine, N-propyloxycarbonyl-.
Sources
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