- InChI
- InChI=1S/C17H23NO6/c1-13(2)7-6-12-23-16(19)10-5-11-17(20)24-15-9-4-3-8-14(15)18(21)22/h3-4,8-9,13H,5-7,10-12H2,1-2H3
- InChI Key
- KNNDOTMXEUNUDK-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1ccccc
1[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° | -239.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1704.71 | kPa | Joback Calculated Property |
| Inp | [2549.00; 2549.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2549.00 | NIST | |
| Tboil | 924.00 | K | Joback Calculated Property |
| Tc | 1148.18 | K | Joback Calculated Property |
| Tfus | 593.22 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.88; 868.56] | J/mol×K | [924.00; 1148.18] |
|
| Cp,gas | 812.88 | J/mol×K | 924.00 | Joback Calculated Property |
| Cp,gas | 825.20 | J/mol×K | 961.36 | Joback Calculated Property |
| Cp,gas | 836.26 | J/mol×K | 998.73 | Joback Calculated Property |
| Cp,gas | 846.10 | J/mol×K | 1036.09 | Joback Calculated Property |
| Cp,gas | 854.75 | J/mol×K | 1073.45 | Joback Calculated Property |
| Cp,gas | 862.23 | J/mol×K | 1110.82 | Joback Calculated Property |
| Cp,gas | 868.56 | J/mol×K | 1148.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 2-nitrophenyl ester.
Sources
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