- InChI
- InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-12(16(19)20)13(9-11)21-2/h7-9H,3-6,10H2,1-2H3
- InChI Key
- RPSPBPZWTNEDPN-UHFFFAOYSA-N
- Formula
- C15H19NO7
- SMILES
-
CCOC(=O)CCCC(=O)OCc1ccc([N+](=
O)[O-])c(OC)c1 - Molecular Weight1
- 325.31
- 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° | -368.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.380 | Crippen Calculated Property | |
| McVol | 236.620 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 2550.00 | NIST | |
| Tboil | 906.08 | K | Joback Calculated Property |
| Tc | 1129.95 | K | Joback Calculated Property |
| Tfus | 620.43 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.65; 770.63] | J/mol×K | [906.08; 1129.95] | 
|
| Cp,gas | 722.65 | J/mol×K | 906.08 | Joback Calculated Property |
| Cp,gas | 733.82 | J/mol×K | 943.39 | Joback Calculated Property |
| Cp,gas | 743.73 | J/mol×K | 980.70 | Joback Calculated Property |
| Cp,gas | 752.37 | J/mol×K | 1018.02 | Joback Calculated Property |
| Cp,gas | 759.74 | J/mol×K | 1055.33 | Joback Calculated Property |
| Cp,gas | 765.82 | J/mol×K | 1092.64 | Joback Calculated Property |
| Cp,gas | 770.63 | J/mol×K | 1129.95 | Joback Calculated Property |
Similar Compounds
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Sources
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