- InChI
- InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2
- InChI Key
- HGKAMARNFGKMLC-UHFFFAOYSA-N
- Formula
- C20H23NO2
- SMILES
-
c1ccc(C2(c3ccccc3)OCC(C3CCCCN3
)O2)cc1 - Molecular Weight1
- 309.40
- CAS
- 3666-69-1
- 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° | 305.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 3.445 | Crippen Calculated Property | |
| McVol | 245.140 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [2323.00; 2323.00] |
|
|
| Inp | 2323.00 | NIST | |
| Inp | 2323.00 | NIST | |
| Tboil | 843.21 | K | Joback Calculated Property |
| Tc | 1126.02 | K | Joback Calculated Property |
| Tfus | 564.11 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.95; 921.59] | J/mol×K | [843.21; 1126.02] |
|
| Cp,gas | 793.95 | J/mol×K | 843.21 | Joback Calculated Property |
| Cp,gas | 817.02 | J/mol×K | 890.34 | Joback Calculated Property |
| Cp,gas | 838.91 | J/mol×K | 937.48 | Joback Calculated Property |
| Cp,gas | 859.97 | J/mol×K | 984.61 | Joback Calculated Property |
| Cp,gas | 880.54 | J/mol×K | 1031.75 | Joback Calculated Property |
| Cp,gas | 900.97 | J/mol×K | 1078.88 | Joback Calculated Property |
| Cp,gas | 921.59 | J/mol×K | 1126.02 | Joback Calculated Property |
Similar Compounds
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Sources
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