- InChI
- InChI=1S/C22H25NO/c1-16(24)23(2)15-7-13-22-14-12-17(18-8-3-5-10-20(18)22)19-9-4-6-11-21(19)22/h3-6,8-11,17H,7,12-15H2,1-2H3
- InChI Key
- IPDIKPLOBPRIPB-UHFFFAOYSA-N
- Formula
- C22H25NO
- SMILES
-
CC(=O)N(C)CCCC12CCC(c3ccccc31)
c1ccccc12 - Molecular Weight1
- 319.44
- CAS
- 78508-60-8
- Other Names
-
- Maprotiline, acetylated
- 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 | 0.6711 | Relay (1.0) Calculated Property | |
| ΔfG° | 461.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 263.150 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 688.47 | K | Relay (1.0) Calculated Property |
| Tc | 1006.05 | K | Relay (1.0) Calculated Property |
| Tfus | 431.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.06; 938.67] | J/mol×K | [837.57; 1069.51] |
|
| Cp,gas | 821.06 | J/mol×K | 837.57 | Joback Calculated Property |
| Cp,gas | 840.16 | J/mol×K | 876.23 | Joback Calculated Property |
| Cp,gas | 859.07 | J/mol×K | 914.88 | Joback Calculated Property |
| Cp,gas | 878.09 | J/mol×K | 953.54 | Joback Calculated Property |
| Cp,gas | 897.50 | J/mol×K | 992.20 | Joback Calculated Property |
| Cp,gas | 917.60 | J/mol×K | 1030.85 | Joback Calculated Property |
| Cp,gas | 938.67 | J/mol×K | 1069.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Maprotiline, N-acetyl-.
Sources
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