- InChI
- InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3
- InChI Key
- RIKMCJUNPCRFMW-UHFFFAOYSA-N
- Formula
- C17H19NO4
- SMILES
-
COc1ccc2c3c1OC1C(=O)CCC4(O)C(C
2)NCCC314 - Molecular Weight1
- 301.34
- CAS
- 57664-96-7
- Other Names
-
- (5«alpha»)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one
- Noroxycodone
- 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 | 0.7278 | Relay (... Calculated Property | |
| ΔfG° | 44.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.26 | kJ/mol | Relay (... Calculated Property |
| IE | 7.70 | eV | Relay (... Calculated Property |
| log10WS | -1.96 | Relay (... Calculated Property | |
| logPoct/wat | 0.706 | Crippen Calculated Property | |
| McVol | 212.350 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | [2684.60; 2684.60] |
|
|
| Inp | 2684.60 | NIST | |
| Inp | 2684.60 | NIST | |
| Tboil | 654.21 | K | Relay (... Calculated Property |
| Tc | 1009.78 | K | Relay (... Calculated Property |
| Tfus | 477.88 | K | Relay (... Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.04; 901.81] | J/mol×K | [915.34; 1161.69] |
|
| Cp,gas | 743.04 | J/mol×K | 915.34 | Joback Calculated Property |
| Cp,gas | 764.78 | J/mol×K | 956.40 | Joback Calculated Property |
| Cp,gas | 787.89 | J/mol×K | 997.46 | Joback Calculated Property |
| Cp,gas | 812.77 | J/mol×K | 1038.51 | Joback Calculated Property |
| Cp,gas | 839.78 | J/mol×K | 1079.57 | Joback Calculated Property |
| Cp,gas | 869.34 | J/mol×K | 1120.63 | Joback Calculated Property |
| Cp,gas | 901.81 | J/mol×K | 1161.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-.
Sources
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