- InChI
- InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3
- InChI Key
- UWJUQVWARXYRCG-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CN(C)CC1CCCCC1(O)c1cccc(O)c1
- Molecular Weight1
- 249.35
- CAS
- 144830-14-8
- 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° | 18.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.332 | Crippen Calculated Property | |
| McVol | 209.310 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | [2074.20; 2074.20] |
|
|
| Inp | 2074.20 | NIST | |
| Inp | 2074.20 | NIST | |
| Tboil | 769.64 | K | Joback Calculated Property |
| Tc | 992.11 | K | Joback Calculated Property |
| Tfus | 517.28 | K | Joback Calculated Property |
| Vc | 0.701 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.61; 749.35] | J/mol×K | [769.64; 992.11] |
|
| Cp,gas | 651.61 | J/mol×K | 769.64 | Joback Calculated Property |
| Cp,gas | 668.62 | J/mol×K | 806.72 | Joback Calculated Property |
| Cp,gas | 685.08 | J/mol×K | 843.80 | Joback Calculated Property |
| Cp,gas | 701.18 | J/mol×K | 880.88 | Joback Calculated Property |
| Cp,gas | 717.13 | J/mol×K | 917.95 | Joback Calculated Property |
| Cp,gas | 733.11 | J/mol×K | 955.03 | Joback Calculated Property |
| Cp,gas | 749.35 | J/mol×K | 992.11 | Joback Calculated Property |
Similar Compounds
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Sources
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