- InChI
- InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3
- InChI Key
- VWCUGCYZZGRKEE-UHFFFAOYSA-N
- Formula
- C22H29NO2
- SMILES
-
CCC(OC(C)=O)C(CC(C)NC)(c1ccccc
1)c1ccccc1 - Molecular Weight1
- 339.47
- CAS
- 1477-39-0
- Other Names
-
- Benzeneethanol, «alpha»-ethyl-«beta»-[2-(methylamino)propyl]-«beta»-phenyl-, acetate (ester)
- 3-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate (ester)
- Noracetylmethadol
- Noracetylmethadone
- Normethadyl acetate
- Benzeneethanol, «alpha»-ethyl-«beta»-[2-(methylamino)propyl]-«beta»-phenyl-, acetate
- 6-(Methylamino)-4,4-diphenyl-3-heptanol acetate (ester)
- 3-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate
- 5633-25-0
- 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 | 0.6721 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 290.740 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Tboil | 644.01 | K | Relay (1.0) Calculated Property |
| Tc | 895.55 | K | Relay (1.0) Calculated Property |
| Tfus | 365.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.990 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [915.44; 998.08] | J/mol×K | [878.47; 1107.61] | 
|
| Cp,gas | 915.44 | J/mol×K | 878.47 | Joback Calculated Property |
| Cp,gas | 932.18 | J/mol×K | 916.66 | Joback Calculated Property |
| Cp,gas | 947.58 | J/mol×K | 954.85 | Joback Calculated Property |
| Cp,gas | 961.77 | J/mol×K | 993.04 | Joback Calculated Property |
| Cp,gas | 974.84 | J/mol×K | 1031.23 | Joback Calculated Property |
| Cp,gas | 986.91 | J/mol×K | 1069.42 | Joback Calculated Property |
| Cp,gas | 998.08 | J/mol×K | 1107.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Noracymethadol.
Sources
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