- InChI
- InChI=1S/C15H17NO3/c1-2-19-14(18)15(11-6-4-3-5-7-11)10-12(17)8-9-13(15)16/h3-9,13H,2,10,16H2,1H3
- InChI Key
- OTRJPTAJPGIPRO-UHFFFAOYSA-N
- Formula
- C15H17NO3
- SMILES
-
CCOC(=O)C1(c2ccccc2)CC(=O)C=CC
1N - Molecular Weight1
- 259.30
- 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 | 0.5243 | Relay (... Calculated Property | |
| ΔfG° | -61.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.02 | kJ/mol | Relay (... Calculated Property |
| IE | 8.37 | eV | Relay (... Calculated Property |
| log10WS | -2.66 | Relay (... Calculated Property | |
| logPoct/wat | 1.344 | Crippen Calculated Property | |
| McVol | 202.280 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [2030.00; 2030.00] |
|
|
| Inp | 2030.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 614.67 | K | Relay (... Calculated Property |
| Tc | 856.39 | K | Relay (... Calculated Property |
| Tfus | 398.09 | K | Relay (... Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.71; 703.92] | J/mol×K | [800.20; 1056.62] |
|
| Cp,gas | 610.71 | J/mol×K | 800.20 | Joback Calculated Property |
| Cp,gas | 628.07 | J/mol×K | 842.94 | Joback Calculated Property |
| Cp,gas | 644.51 | J/mol×K | 885.67 | Joback Calculated Property |
| Cp,gas | 660.17 | J/mol×K | 928.41 | Joback Calculated Property |
| Cp,gas | 675.19 | J/mol×K | 971.15 | Joback Calculated Property |
| Cp,gas | 689.73 | J/mol×K | 1013.89 | Joback Calculated Property |
| Cp,gas | 703.92 | J/mol×K | 1056.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ketobisnortilidine.
Sources
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