- InChI
- InChI=1S/C17H23NO6/c1-3-4-10-23-16(19)6-5-7-17(20)24-12-14-8-9-15(18(21)22)13(2)11-14/h8-9,11H,3-7,10,12H2,1-2H3
- InChI Key
- NURDNDZDTSZLJI-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1ccc([N+]
(=O)[O-])c(C)c1 - 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° | -246.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 3.460 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1672.79 | kPa | Joback Calculated Property |
| Inp | 2729.00 | NIST | |
| Tboil | 929.42 | K | Joback Calculated Property |
| Tc | 1152.32 | K | Joback Calculated Property |
| Tfus | 620.74 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.03; 865.74] | J/mol×K | [929.42; 1152.32] | 
|
| Cp,gas | 811.03 | J/mol×K | 929.42 | Joback Calculated Property |
| Cp,gas | 823.17 | J/mol×K | 966.57 | Joback Calculated Property |
| Cp,gas | 834.07 | J/mol×K | 1003.72 | Joback Calculated Property |
| Cp,gas | 843.77 | J/mol×K | 1040.87 | Joback Calculated Property |
| Cp,gas | 852.26 | J/mol×K | 1078.02 | Joback Calculated Property |
| Cp,gas | 859.58 | J/mol×K | 1115.17 | Joback Calculated Property |
| Cp,gas | 865.74 | J/mol×K | 1152.32 | Joback Calculated Property |
Similar Compounds
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Sources
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