- InChI
- InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3
- InChI Key
- ILNSWVUXAPSPEH-UHFFFAOYSA-N
- Formula
- C17H23NO
- SMILES
-
COc1ccc2c(c1)C13CCCCC1C(C2)NCC
3 - Molecular Weight1
- 257.37
- CAS
- 1531-25-5
- Other Names
-
- 3-Methoxymorphinan
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 320.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.041 | Crippen Calculated Property | |
| McVol | 209.900 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | 2146.00 | NIST | |
| Tboil | 724.97 | K | Joback Calculated Property |
| Tc | 976.32 | K | Joback Calculated Property |
| Tfus | 530.75 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.85; 760.72] | J/mol×K | [724.97; 976.32] | 
|
| Cp,gas | 640.85 | J/mol×K | 724.97 | Joback Calculated Property |
| Cp,gas | 662.66 | J/mol×K | 766.86 | Joback Calculated Property |
| Cp,gas | 683.37 | J/mol×K | 808.75 | Joback Calculated Property |
| Cp,gas | 703.26 | J/mol×K | 850.65 | Joback Calculated Property |
| Cp,gas | 722.61 | J/mol×K | 892.54 | Joback Calculated Property |
| Cp,gas | 741.67 | J/mol×K | 934.43 | Joback Calculated Property |
| Cp,gas | 760.72 | J/mol×K | 976.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Morphinan, 3-methoxy-.
Sources
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