- InChI
- InChI=1S/C19H23NO/c1-15-9-11-18(12-10-15)19(13-14-20(3)16(2)21)17-7-5-4-6-8-17/h4-12,19H,13-14H2,1-3H3
- InChI Key
- ZDFPDKOJGBPWSV-UHFFFAOYSA-N
- Formula
- C19H23NO
- SMILES
-
CC(=O)N(C)CCC(c1ccccc1)c1ccc(C
)cc1 - Molecular Weight1
- 281.39
- 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 | 0.6355 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.995 | Crippen Calculated Property | |
| McVol | 242.600 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Inp | [2360.00; 2360.00] |
|
|
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Tboil | 645.10 | K | Relay (1.0) Calculated Property |
| Tc | 902.17 | K | Relay (1.0) Calculated Property |
| Tfus | 330.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.59; 782.18] | J/mol×K | [758.33; 983.77] |
|
| Cp,gas | 694.59 | J/mol×K | 758.33 | Joback Calculated Property |
| Cp,gas | 712.16 | J/mol×K | 795.90 | Joback Calculated Property |
| Cp,gas | 728.42 | J/mol×K | 833.48 | Joback Calculated Property |
| Cp,gas | 743.46 | J/mol×K | 871.05 | Joback Calculated Property |
| Cp,gas | 757.38 | J/mol×K | 908.62 | Joback Calculated Property |
| Cp,gas | 770.26 | J/mol×K | 946.20 | Joback Calculated Property |
| Cp,gas | 782.18 | J/mol×K | 983.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tolpropamine M (nor), acetylated.
Sources
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