- InChI
- InChI=1S/C17H23NO7/c1-12(2)10-24-16(19)5-4-6-17(20)25-11-13-7-8-15(23-3)14(9-13)18(21)22/h7-9,12H,4-6,10-11H2,1-3H3
- InChI Key
- NHGPRDPHPPXHOM-UHFFFAOYSA-N
- Formula
- C17H23NO7
- SMILES
-
COc1ccc(COC(=O)CCCC(=O)OCC(C)C
)cc1[N+](=O)[O-] - Molecular Weight1
- 353.37
- 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° | -354.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.016 | Crippen Calculated Property | |
| McVol | 264.800 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | 2699.00 | NIST | |
| Tboil | 951.40 | K | Joback Calculated Property |
| Tc | 1176.90 | K | Joback Calculated Property |
| Tfus | 627.97 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.64; 884.76] | J/mol×K | [951.40; 1176.90] | 
|
| Cp,gas | 837.64 | J/mol×K | 951.40 | Joback Calculated Property |
| Cp,gas | 849.01 | J/mol×K | 988.98 | Joback Calculated Property |
| Cp,gas | 858.97 | J/mol×K | 1026.57 | Joback Calculated Property |
| Cp,gas | 867.53 | J/mol×K | 1064.15 | Joback Calculated Property |
| Cp,gas | 874.68 | J/mol×K | 1101.73 | Joback Calculated Property |
| Cp,gas | 880.42 | J/mol×K | 1139.31 | Joback Calculated Property |
| Cp,gas | 884.76 | J/mol×K | 1176.90 | Joback Calculated Property |
Similar Compounds
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Sources
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