- InChI
- InChI=1S/C17H23NO6/c1-12(2)10-23-16(19)5-4-6-17(20)24-11-14-7-8-15(18(21)22)13(3)9-14/h7-9,12H,4-6,10-11H2,1-3H3
- InChI Key
- XOJFBSCEXJJYOK-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
Cc1cc(COC(=O)CCCC(=O)OCC(C)C)c
cc1[N+](=O)[O-] - 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° | -249.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.316 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1683.79 | kPa | Joback Calculated Property |
| Inp | 2671.00 | NIST | |
| Tboil | 928.98 | K | Joback Calculated Property |
| Tc | 1153.96 | K | Joback Calculated Property |
| Tfus | 605.74 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.53; 866.11] | J/mol×K | [928.98; 1153.96] | 
|
| Cp,gas | 811.53 | J/mol×K | 928.98 | Joback Calculated Property |
| Cp,gas | 823.74 | J/mol×K | 966.48 | Joback Calculated Property |
| Cp,gas | 834.67 | J/mol×K | 1003.97 | Joback Calculated Property |
| Cp,gas | 844.36 | J/mol×K | 1041.47 | Joback Calculated Property |
| Cp,gas | 852.82 | J/mol×K | 1078.97 | Joback Calculated Property |
| Cp,gas | 860.06 | J/mol×K | 1116.47 | Joback Calculated Property |
| Cp,gas | 866.11 | J/mol×K | 1153.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 3-methyl-4-nitrobenzyl ester.
Sources
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