- InChI
- InChI=1S/C20H28ClNO6/c21-13-5-3-1-2-4-6-14-27-19(23)11-8-12-20(24)28-16-17-9-7-10-18(15-17)22(25)26/h7,9-10,15H,1-6,8,11-14,16H2
- InChI Key
- QXPPVBZDXLXHGO-UHFFFAOYSA-N
- Formula
- C20H28ClNO6
- SMILES
-
O=C(CCCC(=O)OCc1cccc([N+](=O)[
O-])c1)OCCCCCCCCCl - Molecular Weight1
- 413.89
- 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° | -223.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 4.931 | Crippen Calculated Property | |
| McVol | 313.440 | ml/mol | McGowan Calculated Property |
| Pc | 1317.52 | kPa | Joback Calculated Property |
| Inp | [3289.00; 3289.00] |
|
|
| Inp | 3289.00 | NIST | |
| Inp | 3289.00 | NIST | |
| Tboil | 1030.51 | K | Joback Calculated Property |
| Tc | 1263.07 | K | Joback Calculated Property |
| Tfus | 671.95 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1009.03; 1057.32] | J/mol×K | [1030.51; 1263.07] |
|
| Cp,gas | 1009.03 | J/mol×K | 1030.51 | Joback Calculated Property |
| Cp,gas | 1020.35 | J/mol×K | 1069.27 | Joback Calculated Property |
| Cp,gas | 1030.30 | J/mol×K | 1108.03 | Joback Calculated Property |
| Cp,gas | 1038.93 | J/mol×K | 1146.79 | Joback Calculated Property |
| Cp,gas | 1046.28 | J/mol×K | 1185.55 | Joback Calculated Property |
| Cp,gas | 1052.40 | J/mol×K | 1224.31 | Joback Calculated Property |
| Cp,gas | 1057.32 | J/mol×K | 1263.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 3-nitrobenzyl ester.
Sources
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