- InChI
- InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
- InChI Key
- XBMIVRRWGCYBTQ-UHFFFAOYSA-N
- Formula
- C23H31NO2
- SMILES
-
CCC(OC(C)=O)C(CC(C)N(C)C)(c1cc
ccc1)c1ccccc1 - Molecular Weight1
- 353.50
- CAS
- 17199-58-5
- Other Names
-
- Acetylmethadol
- 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 | 0.6602 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.655 | Crippen Calculated Property | |
| McVol | 304.830 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 644.99 | K | Relay (1.0) Calculated Property |
| Tc | 890.68 | K | Relay (1.0) Calculated Property |
| Tfus | 358.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [958.11; 1047.23] | J/mol×K | [863.62; 1088.26] |
|
| Cp,gas | 958.11 | J/mol×K | 863.62 | Joback Calculated Property |
| Cp,gas | 975.97 | J/mol×K | 901.06 | Joback Calculated Property |
| Cp,gas | 992.48 | J/mol×K | 938.50 | Joback Calculated Property |
| Cp,gas | 1007.75 | J/mol×K | 975.94 | Joback Calculated Property |
| Cp,gas | 1021.89 | J/mol×K | 1013.38 | Joback Calculated Property |
| Cp,gas | 1035.01 | J/mol×K | 1050.82 | Joback Calculated Property |
| Cp,gas | 1047.23 | J/mol×K | 1088.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alphacetylmethadol.
Sources
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