- InChI
- InChI=1S/C21H25N3O4/c1-16(25)22-12-13-23-21(27)15-24(14-18-6-4-3-5-7-18)19-8-10-20(11-9-19)28-17(2)26/h3-11H,12-15H2,1-2H3,(H,22,25)(H,23,27)
- InChI Key
- DTNUXASCFOWTBD-UHFFFAOYSA-N
- Formula
- C21H25N3O4
- SMILES
-
CC(=O)NCCNC(=O)CN(Cc1ccccc1)c1
ccc(OC(C)=O)cc1 - Molecular Weight1
- 383.44
- 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 | 0.9909 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.871 | Crippen Calculated Property | |
| McVol | 299.750 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | 2340.00 | NIST | |
| Tboil | 711.03 | K | Relay (1.0) Calculated Property |
| Tc | 1020.94 | K | Relay (1.0) Calculated Property |
| Tfus | 393.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.042 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.74; 1020.19] | J/mol×K | [1035.03; 1271.93] | 
|
| Cp,gas | 970.74 | J/mol×K | 1035.03 | Joback Calculated Property |
| Cp,gas | 981.64 | J/mol×K | 1074.51 | Joback Calculated Property |
| Cp,gas | 991.36 | J/mol×K | 1114.00 | Joback Calculated Property |
| Cp,gas | 999.98 | J/mol×K | 1153.48 | Joback Calculated Property |
| Cp,gas | 1007.60 | J/mol×K | 1192.96 | Joback Calculated Property |
| Cp,gas | 1014.31 | J/mol×K | 1232.45 | Joback Calculated Property |
| Cp,gas | 1020.19 | J/mol×K | 1271.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Antazoline, hydroxy, hydrolized, acetylated.
Sources
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