- InChI
- InChI=1S/C22H27N3O5/c1-16(26)23-11-12-24-22(28)15-25(14-18-7-5-4-6-8-18)19-9-10-20(30-17(2)27)21(13-19)29-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26)(H,24,28)
- InChI Key
- LQUPSNUMIFUTGH-UHFFFAOYSA-N
- Formula
- C22H27N3O5
- SMILES
-
COc1cc(N(CC(=O)NCCNC(C)=O)Cc2c
cccc2)ccc1OC(C)=O - Molecular Weight1
- 413.47
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 32.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 1.879 | Crippen Calculated Property | |
| McVol | 319.710 | ml/mol | McGowan Calculated Property |
| Pc | 1575.95 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2460.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 1085.31 | K | Joback Calculated Property |
| Tc | 1329.27 | K | Joback Calculated Property |
| Tfus | 747.62 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.22; 1088.77] | J/mol×K | [1085.31; 1329.27] |
|
| Cp,gas | 1052.22 | J/mol×K | 1085.31 | Joback Calculated Property |
| Cp,gas | 1061.77 | J/mol×K | 1125.97 | Joback Calculated Property |
| Cp,gas | 1069.85 | J/mol×K | 1166.63 | Joback Calculated Property |
| Cp,gas | 1076.52 | J/mol×K | 1207.29 | Joback Calculated Property |
| Cp,gas | 1081.84 | J/mol×K | 1247.95 | Joback Calculated Property |
| Cp,gas | 1085.90 | J/mol×K | 1288.61 | Joback Calculated Property |
| Cp,gas | 1088.77 | J/mol×K | 1329.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Antazoline, hydroxy-methoxy, hydrolized, acetylated.
Sources
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