- InChI
- InChI=1S/C21H23NO/c1-15(23)22-14-6-12-21-13-11-16(17-7-2-4-9-19(17)21)18-8-3-5-10-20(18)21/h2-5,7-10,16H,6,11-14H2,1H3,(H,22,23)
- InChI Key
- XEWCNCFSWLDCFU-UHFFFAOYSA-N
- Formula
- C21H23NO
- SMILES
-
CC(=O)NCCCC12CCC(c3ccccc31)c1c
cccc12 - Molecular Weight1
- 305.41
- 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° | 432.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 87.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.128 | Crippen Calculated Property | |
| McVol | 249.060 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | 2765.00 | NIST | |
| Tboil | 852.42 | K | Joback Calculated Property |
| Tc | 1089.24 | K | Joback Calculated Property |
| Tfus | 573.72 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.17; 895.16] | J/mol×K | [852.42; 1089.24] | 
|
| Cp,gas | 779.17 | J/mol×K | 852.42 | Joback Calculated Property |
| Cp,gas | 797.59 | J/mol×K | 891.89 | Joback Calculated Property |
| Cp,gas | 815.97 | J/mol×K | 931.36 | Joback Calculated Property |
| Cp,gas | 834.63 | J/mol×K | 970.83 | Joback Calculated Property |
| Cp,gas | 853.85 | J/mol×K | 1010.30 | Joback Calculated Property |
| Cp,gas | 873.93 | J/mol×K | 1049.77 | Joback Calculated Property |
| Cp,gas | 895.16 | J/mol×K | 1089.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Maprotiline M(Nor), acetyl conjugate.
Sources
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