- InChI
- InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)
- InChI Key
- ONNOFKFOZAJDHT-UHFFFAOYSA-N
- Formula
- C22H27NO2
- SMILES
-
O=C(O)CCCCCCNC1c2ccccc2CCc2ccc
cc21 - Molecular Weight1
- 337.46
- CAS
- 57574-09-1
- 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 | 0.9995 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.499 | Crippen Calculated Property | |
| McVol | 279.880 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [3085.00; 3085.00] |
|
|
| Inp | 3085.00 | NIST | |
| Inp | 3085.00 | NIST | |
| Tboil | 721.14 | K | Relay (1.0) Calculated Property |
| Tc | 1018.10 | K | Relay (1.0) Calculated Property |
| Tfus | 444.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.993 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.66; 999.55] | J/mol×K | [969.04; 1194.06] |
|
| Cp,gas | 923.66 | J/mol×K | 969.04 | Joback Calculated Property |
| Cp,gas | 937.95 | J/mol×K | 1006.54 | Joback Calculated Property |
| Cp,gas | 951.43 | J/mol×K | 1044.05 | Joback Calculated Property |
| Cp,gas | 964.21 | J/mol×K | 1081.55 | Joback Calculated Property |
| Cp,gas | 976.42 | J/mol×K | 1119.05 | Joback Calculated Property |
| Cp,gas | 988.16 | J/mol×K | 1156.56 | Joback Calculated Property |
| Cp,gas | 999.55 | J/mol×K | 1194.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Amineptine.
Sources
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