- InChI
- InChI=1S/C15H19NO6/c1-2-3-9-21-14(17)7-8-15(18)22-11-12-5-4-6-13(10-12)16(19)20/h4-6,10H,2-3,7-9,11H2,1H3
- InChI Key
- WXXIYHREOWZCCZ-UHFFFAOYSA-N
- Formula
- C15H19NO6
- SMILES
-
CCCCOC(=O)CCC(=O)OCc1cccc([N+]
(=O)[O-])c1 - Molecular Weight1
- 309.31
- 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° | -254.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 2.761 | Crippen Calculated Property | |
| McVol | 230.750 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [2378.00; 2378.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Tboil | 878.68 | K | Joback Calculated Property |
| Tc | 1102.32 | K | Joback Calculated Property |
| Tfus | 585.68 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.25; 753.04] | J/mol×K | [878.68; 1102.32] |
|
| Cp,gas | 698.25 | J/mol×K | 878.68 | Joback Calculated Property |
| Cp,gas | 710.17 | J/mol×K | 915.95 | Joback Calculated Property |
| Cp,gas | 720.95 | J/mol×K | 953.23 | Joback Calculated Property |
| Cp,gas | 730.61 | J/mol×K | 990.50 | Joback Calculated Property |
| Cp,gas | 739.17 | J/mol×K | 1027.77 | Joback Calculated Property |
| Cp,gas | 746.64 | J/mol×K | 1065.04 | Joback Calculated Property |
| Cp,gas | 753.04 | J/mol×K | 1102.32 | Joback Calculated Property |
Similar Compounds
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Sources
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