- InChI
- InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2
- InChI Key
- IYNWSQDZXMGGGI-UHFFFAOYSA-N
- Formula
- C16H21NO
- SMILES
- Oc1ccc2c(c1)C13CCCCC1C(C2)NCC3
- Molecular Weight1
- 243.34
- CAS
- 1531-12-0
- Other Names
-
- Morphinan-3-ol
- Morphinan, 3-hydroxy-
- (-)-3-Hydroxymorphinan
- 3-Hydroxymorphinan
- NIH-7539
- 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 | 0.6072 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.738 | Crippen Calculated Property | |
| McVol | 195.810 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | [2237.00; 2244.00] |
|
|
| Inp | 2237.00 | NIST | |
| Inp | 2244.00 | NIST | |
| Inp | 2237.00 | NIST | |
| Tboil | 650.06 | K | Relay (1.0) Calculated Property |
| Tc | 936.50 | K | Relay (1.0) Calculated Property |
| Tfus | 460.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.41; 738.05] | J/mol×K | [755.31; 1022.43] |
|
| Cp,gas | 616.41 | J/mol×K | 755.31 | Joback Calculated Property |
| Cp,gas | 636.72 | J/mol×K | 799.83 | Joback Calculated Property |
| Cp,gas | 656.44 | J/mol×K | 844.35 | Joback Calculated Property |
| Cp,gas | 676.00 | J/mol×K | 888.87 | Joback Calculated Property |
| Cp,gas | 695.83 | J/mol×K | 933.39 | Joback Calculated Property |
| Cp,gas | 716.37 | J/mol×K | 977.91 | Joback Calculated Property |
| Cp,gas | 738.05 | J/mol×K | 1022.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norlevorphanol.
Sources
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