- InChI
- InChI=1S/C23H25NO3/c1-15(25)24-13-5-11-23-12-10-18(19-6-3-4-7-21(19)23)20-9-8-17(14-22(20)23)27-16(2)26/h3-4,6-9,14,18H,5,10-13H2,1-2H3,(H,24,25)
- InChI Key
- FRCXBZROBTZGDE-UHFFFAOYSA-N
- Formula
- C23H25NO3
- SMILES
-
CC(=O)NCCCC12CCC(c3ccccc31)c1c
cc(OC(C)=O)cc12 - Molecular Weight1
- 363.45
- 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 | 0.8486 | Relay (... Calculated Property | |
| ΔfG° | 205.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.42 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -4.90 | Relay (... Calculated Property | |
| logPoct/wat | 4.053 | Crippen Calculated Property | |
| McVol | 284.680 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | 3150.00 | NIST | |
| Tboil | 717.34 | K | Relay (... Calculated Property |
| Tc | 1051.24 | K | Relay (... Calculated Property |
| Tfus | 431.58 | K | Relay (... Calculated Property |
| Vc | 1.025 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.97; 1081.79] | J/mol×K | [979.45; 1217.15] | 
|
| Cp,gas | 945.97 | J/mol×K | 979.45 | Joback Calculated Property |
| Cp,gas | 966.23 | J/mol×K | 1019.07 | Joback Calculated Property |
| Cp,gas | 987.09 | J/mol×K | 1058.68 | Joback Calculated Property |
| Cp,gas | 1008.79 | J/mol×K | 1098.30 | Joback Calculated Property |
| Cp,gas | 1031.63 | J/mol×K | 1137.92 | Joback Calculated Property |
| Cp,gas | 1055.87 | J/mol×K | 1177.54 | Joback Calculated Property |
| Cp,gas | 1081.79 | J/mol×K | 1217.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Maprotiline M(Nor-HO), diacetylated.
Sources
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