- InChI
- InChI=1S/C15H19NO6/c1-3-21-14(17)5-4-6-15(18)22-10-12-7-8-13(16(19)20)11(2)9-12/h7-9H,3-6,10H2,1-2H3
- InChI Key
- LFZGRFNNHJPUIQ-UHFFFAOYSA-N
- Formula
- C15H19NO6
- SMILES
-
CCOC(=O)CCCC(=O)OCc1ccc([N+](=
O)[O-])c(C)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° | -263.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 2.680 | Crippen Calculated Property | |
| McVol | 230.750 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | 2387.00 | NIST | |
| Tboil | 883.66 | K | Joback Calculated Property |
| Tc | 1108.06 | K | Joback Calculated Property |
| Tfus | 598.20 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.82; 750.76] | J/mol×K | [883.66; 1108.06] | 
|
| Cp,gas | 696.82 | J/mol×K | 883.66 | Joback Calculated Property |
| Cp,gas | 708.65 | J/mol×K | 921.06 | Joback Calculated Property |
| Cp,gas | 719.33 | J/mol×K | 958.46 | Joback Calculated Property |
| Cp,gas | 728.87 | J/mol×K | 995.86 | Joback Calculated Property |
| Cp,gas | 737.28 | J/mol×K | 1033.26 | Joback Calculated Property |
| Cp,gas | 744.57 | J/mol×K | 1070.66 | Joback Calculated Property |
| Cp,gas | 750.76 | J/mol×K | 1108.06 | Joback Calculated Property |
Similar Compounds
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Sources
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