- InChI
- InChI=1S/C17H23NO6/c1-2-3-4-12-23-16(19)6-5-7-17(20)24-13-14-8-10-15(11-9-14)18(21)22/h8-11H,2-7,12-13H2,1H3
- InChI Key
- OSYMUBQFZFJXRI-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
CCCCCOC(=O)CCCC(=O)OCc1ccc([N+
](=O)[O-])cc1 - Molecular Weight1
- 337.37
- 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° | -237.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 3.542 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1693.51 | kPa | Joback Calculated Property |
| Inp | 2644.00 | NIST | |
| Tboil | 924.44 | K | Joback Calculated Property |
| Tc | 1146.52 | K | Joback Calculated Property |
| Tfus | 608.22 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.38; 868.15] | J/mol×K | [924.44; 1146.52] | 
|
| Cp,gas | 812.38 | J/mol×K | 924.44 | Joback Calculated Property |
| Cp,gas | 824.62 | J/mol×K | 961.45 | Joback Calculated Property |
| Cp,gas | 835.65 | J/mol×K | 998.47 | Joback Calculated Property |
| Cp,gas | 845.49 | J/mol×K | 1035.48 | Joback Calculated Property |
| Cp,gas | 854.17 | J/mol×K | 1072.49 | Joback Calculated Property |
| Cp,gas | 861.72 | J/mol×K | 1109.51 | Joback Calculated Property |
| Cp,gas | 868.15 | J/mol×K | 1146.52 | Joback Calculated Property |
Similar Compounds
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Sources
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