- InChI
- InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
- InChI Key
- FTLDJPRFCGDUFH-UHFFFAOYSA-N
- Formula
- C28H41N3O3
- SMILES
-
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(
C)Cc1ccccc1)C(C)(C)Cc1ccccc1 - Molecular Weight1
- 467.64
- 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 | 1.1066 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 146.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.240 | Crippen Calculated Property | |
| McVol | 396.810 | ml/mol | McGowan Calculated Property |
| Pc | 1115.57 | kPa | Joback Calculated Property |
| Inp | 2525.00 | NIST | |
| Tboil | 751.50 | K | Relay (1.0) Calculated Property |
| Tc | 1015.34 | K | Relay (1.0) Calculated Property |
| Tfus | 397.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1397.72; 1509.08] | J/mol×K | [1124.18; 1379.05] | 
|
| Cp,gas | 1397.72 | J/mol×K | 1124.18 | Joback Calculated Property |
| Cp,gas | 1415.90 | J/mol×K | 1166.66 | Joback Calculated Property |
| Cp,gas | 1433.85 | J/mol×K | 1209.14 | Joback Calculated Property |
| Cp,gas | 1451.86 | J/mol×K | 1251.62 | Joback Calculated Property |
| Cp,gas | 1470.21 | J/mol×K | 1294.10 | Joback Calculated Property |
| Cp,gas | 1489.19 | J/mol×K | 1336.57 | Joback Calculated Property |
| Cp,gas | 1509.08 | J/mol×K | 1379.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxethazaine.
Sources
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