- InChI
- InChI=1S/C18H23NO/c1-19(2)13-14-20-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
- InChI Key
- LVKVUFDVHFLQDJ-UHFFFAOYSA-N
- Formula
- C18H23NO
- SMILES
- CN(C)CCOC(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 269.38
- 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 | 0.5949 | Relay (1.0) Calculated Property | |
| ΔfG° | 328.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.549 | Crippen Calculated Property | |
| McVol | 232.810 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | 1923.00 | NIST | |
| Tboil | 610.88 | K | Relay (1.0) Calculated Property |
| Tc | 842.97 | K | Relay (1.0) Calculated Property |
| Tfus | 324.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.07; 742.63] | J/mol×K | [699.02; 918.94] | 
|
| Cp,gas | 647.07 | J/mol×K | 699.02 | Joback Calculated Property |
| Cp,gas | 666.13 | J/mol×K | 735.67 | Joback Calculated Property |
| Cp,gas | 683.85 | J/mol×K | 772.33 | Joback Calculated Property |
| Cp,gas | 700.29 | J/mol×K | 808.98 | Joback Calculated Property |
| Cp,gas | 715.52 | J/mol×K | 845.63 | Joback Calculated Property |
| Cp,gas | 729.61 | J/mol×K | 882.28 | Joback Calculated Property |
| Cp,gas | 742.63 | J/mol×K | 918.94 | Joback Calculated Property |
Similar Compounds
Sources
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