- InChI
- InChI=1S/C17H27NO3/c1-4-7-13-20-16-10-8-15(9-11-16)17(19)21-14-12-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3
- InChI Key
- QNIUOGIMJWORNZ-UHFFFAOYSA-N
- Formula
- C17H27NO3
- SMILES
- CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1
- Molecular Weight1
- 293.41
- 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).
- 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° | -33.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Aq. Sol... | |
| logPoct/wat | 3.364 | Crippen Calculated Property | |
| McVol | 249.920 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Tboil | 731.17 | K | Joback Calculated Property |
| Tc | 923.38 | K | Joback Calculated Property |
| Tfus | 447.15 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.80; 812.89] | J/mol×K | [731.17; 923.38] | 
|
| Cp,gas | 724.80 | J/mol×K | 731.17 | Joback Calculated Property |
| Cp,gas | 741.89 | J/mol×K | 763.20 | Joback Calculated Property |
| Cp,gas | 757.99 | J/mol×K | 795.24 | Joback Calculated Property |
| Cp,gas | 773.12 | J/mol×K | 827.27 | Joback Calculated Property |
| Cp,gas | 787.30 | J/mol×K | 859.31 | Joback Calculated Property |
| Cp,gas | 800.54 | J/mol×K | 891.34 | Joback Calculated Property |
| Cp,gas | 812.89 | J/mol×K | 923.38 | Joback Calculated Property |
Similar Compounds
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Sources
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