- InChI
- InChI=1S/C17H15NO6/c1-2-23-16(19)14-5-3-4-6-15(14)17(20)24-11-12-7-9-13(10-8-12)18(21)22/h3-10H,2,11H2,1H3
- InChI Key
- ASKBDGBIGRMMAT-UHFFFAOYSA-N
- Formula
- C17H15NO6
- SMILES
-
CCOC(=O)c1ccccc1C(=O)OCc1ccc([
N+](=O)[O-])cc1 - Molecular Weight1
- 329.30
- 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° | -134.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 3.128 | Crippen Calculated Property | |
| McVol | 235.170 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [3037.00; 3037.00] |
|
|
| Inp | 3037.00 | NIST | |
| Inp | 3037.00 | NIST | |
| Tboil | 956.10 | K | Joback Calculated Property |
| Tc | 1205.77 | K | Joback Calculated Property |
| Tfus | 647.16 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.28; 742.88] | J/mol×K | [956.10; 1205.77] |
|
| Cp,gas | 704.28 | J/mol×K | 956.10 | Joback Calculated Property |
| Cp,gas | 714.02 | J/mol×K | 997.71 | Joback Calculated Property |
| Cp,gas | 722.38 | J/mol×K | 1039.32 | Joback Calculated Property |
| Cp,gas | 729.42 | J/mol×K | 1080.94 | Joback Calculated Property |
| Cp,gas | 735.16 | J/mol×K | 1122.55 | Joback Calculated Property |
| Cp,gas | 739.63 | J/mol×K | 1164.16 | Joback Calculated Property |
| Cp,gas | 742.88 | J/mol×K | 1205.77 | Joback Calculated Property |
Similar Compounds
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Sources
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