- InChI
- InChI=1S/C26H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-20-32-25(28)17-14-18-26(29)33-21-19-23-15-13-16-24(22-23)27(30)31/h13,15-16,22H,2-12,14,17-21H2,1H3
- InChI Key
- GDNDBXAOKUFPQU-UHFFFAOYSA-N
- Formula
- C26H41NO6
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OCC
c1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 463.61
- 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 | 1.3315 | Relay (1.0) Calculated Property | |
| ΔfG° | -161.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.705 | Crippen Calculated Property | |
| McVol | 385.740 | ml/mol | McGowan Calculated Property |
| Pc | 921.62 | kPa | Joback Calculated Property |
| Inp | [3552.00; 3552.00] |
|
|
| Inp | 3552.00 | NIST | |
| Inp | 3552.00 | NIST | |
| Tboil | 712.00 | K | Relay (1.0) Calculated Property |
| Tc | 935.65 | K | Relay (1.0) Calculated Property |
| Tfus | 311.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1352.87; 1406.74] | J/mol×K | [1130.36; 1391.66] |
|
| Cp,gas | 1352.87 | J/mol×K | 1130.36 | Joback Calculated Property |
| Cp,gas | 1366.29 | J/mol×K | 1173.91 | Joback Calculated Property |
| Cp,gas | 1377.80 | J/mol×K | 1217.46 | Joback Calculated Property |
| Cp,gas | 1387.51 | J/mol×K | 1261.01 | Joback Calculated Property |
| Cp,gas | 1395.51 | J/mol×K | 1304.56 | Joback Calculated Property |
| Cp,gas | 1401.89 | J/mol×K | 1348.11 | Joback Calculated Property |
| Cp,gas | 1406.74 | J/mol×K | 1391.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-nitrophenethyl tridecyl ester.
Sources
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