- InChI
- InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-11-18(2)29-22(25)15-10-14-21(24)28-17-19-12-9-13-20(16-19)23(26)27/h9,12-13,16,18H,3-8,10-11,14-15,17H2,1-2H3
- InChI Key
- QHBIEDHUVLHBPH-UHFFFAOYSA-N
- Formula
- C22H33NO6
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
cccc([N+](=O)[O-])c1 - Molecular Weight1
- 407.50
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1390 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.491 | Crippen Calculated Property | |
| McVol | 329.380 | ml/mol | McGowan Calculated Property |
| Pc | 1187.42 | kPa | Joback Calculated Property |
| Inp | [3027.00; 3027.00] |
|
|
| Inp | 3027.00 | NIST | |
| Inp | 3027.00 | NIST | |
| Tboil | 666.69 | K | Relay (1.0) Calculated Property |
| Tc | 906.78 | K | Relay (1.0) Calculated Property |
| Tfus | 298.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.70; 1163.67] | J/mol×K | [1038.40; 1271.66] |
|
| Cp,gas | 1108.70 | J/mol×K | 1038.40 | Joback Calculated Property |
| Cp,gas | 1121.45 | J/mol×K | 1077.28 | Joback Calculated Property |
| Cp,gas | 1132.70 | J/mol×K | 1116.15 | Joback Calculated Property |
| Cp,gas | 1142.50 | J/mol×K | 1155.03 | Joback Calculated Property |
| Cp,gas | 1150.89 | J/mol×K | 1193.90 | Joback Calculated Property |
| Cp,gas | 1157.93 | J/mol×K | 1232.78 | Joback Calculated Property |
| Cp,gas | 1163.67 | J/mol×K | 1271.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 3-nitrobenzyl ester.
Sources
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