- InChI
- InChI=1S/C19H23N3O2/c1-16(23)20-12-13-21-19(24)15-22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,20,23)(H,21,24)
- InChI Key
- QJYCWNIEOSWHAH-UHFFFAOYSA-N
- Formula
- C19H23N3O2
- SMILES
-
CC(=O)NCCNC(=O)CN(Cc1ccccc1)c1
ccccc1 - Molecular Weight1
- 325.40
- 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 | 0.8329 | Relay (1.0) Calculated Property | |
| ΔfG° | 365.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.946 | Crippen Calculated Property | |
| McVol | 264.130 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 678.16 | K | Relay (1.0) Calculated Property |
| Tc | 1000.96 | K | Relay (1.0) Calculated Property |
| Tfus | 380.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.69; 887.83] | J/mol×K | [908.00; 1135.24] |
|
| Cp,gas | 821.69 | J/mol×K | 908.00 | Joback Calculated Property |
| Cp,gas | 835.07 | J/mol×K | 945.87 | Joback Calculated Property |
| Cp,gas | 847.38 | J/mol×K | 983.75 | Joback Calculated Property |
| Cp,gas | 858.71 | J/mol×K | 1021.62 | Joback Calculated Property |
| Cp,gas | 869.16 | J/mol×K | 1059.50 | Joback Calculated Property |
| Cp,gas | 878.83 | J/mol×K | 1097.37 | Joback Calculated Property |
| Cp,gas | 887.83 | J/mol×K | 1135.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Antazoline, hydrolized, acetylated.
Sources
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