- InChI
- InChI=1S/C17H22N2O8/c1-3-4-8-26-16(20)6-5-7-17(21)27-11-13-9-14(18(22)23)10-15(12(13)2)19(24)25/h9-10H,3-8,11H2,1-2H3
- InChI Key
- KVPCSOJVZSGBMV-UHFFFAOYSA-N
- Formula
- C17H22N2O8
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1cc([N+](
=O)[O-])cc([N+](=O)[O-])c1C - Molecular Weight1
- 382.37
- 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° | -220.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 3.368 | Crippen Calculated Property | |
| McVol | 276.350 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 2875.00 | NIST | |
| Tboil | 1086.24 | K | Joback Calculated Property |
| Tc | 1334.18 | K | Joback Calculated Property |
| Tfus | 776.87 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.13; 920.41] | J/mol×K | [1086.24; 1334.18] | 
|
| Cp,gas | 897.13 | J/mol×K | 1086.24 | Joback Calculated Property |
| Cp,gas | 904.75 | J/mol×K | 1127.56 | Joback Calculated Property |
| Cp,gas | 910.84 | J/mol×K | 1168.89 | Joback Calculated Property |
| Cp,gas | 915.42 | J/mol×K | 1210.21 | Joback Calculated Property |
| Cp,gas | 918.53 | J/mol×K | 1251.53 | Joback Calculated Property |
| Cp,gas | 920.19 | J/mol×K | 1292.85 | Joback Calculated Property |
| Cp,gas | 920.41 | J/mol×K | 1334.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 3,5-dinitro-2-methylbenzyl ester.
Sources
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