- InChI
- InChI=1S/C18H26N2O6/c1-2-3-4-5-6-7-8-9-10-11-26-18(21)15-12-16(19(22)23)14-17(13-15)20(24)25/h12-14H,2-11H2,1H3
- InChI Key
- SBXUHPSCAVGZDS-UHFFFAOYSA-N
- Formula
- C18H26N2O6
- SMILES
-
CCCCCCCCCCCOC(=O)c1cc([N+](=O)
[O-])cc([N+](=O)[O-])c1 - Molecular Weight1
- 366.41
- 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.
- I : 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 | 1.1408 | Relay (... Calculated Property | |
| ΔfG° | 31.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 61.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.23 | kJ/mol | Relay (... Calculated Property |
| IE | 10.03 | eV | Relay (... Calculated Property |
| log10WS | -6.50 | Relay (... Calculated Property | |
| logPoct/wat | 5.191 | Crippen Calculated Property | |
| McVol | 283.000 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | [2651.00; 2686.00] |
|
|
| Inp | 2651.00 | NIST | |
| Inp | 2663.00 | NIST | |
| Inp | 2677.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Inp | 2651.00 | NIST | |
| I | [3589.00; 3616.00] |
|
|
| I | 3589.00 | NIST | |
| I | 3605.00 | NIST | |
| I | 3616.00 | NIST | |
| Tboil | 635.89 | K | Relay (... Calculated Property |
| Tc | 925.98 | K | Relay (... Calculated Property |
| Tfus | 313.23 | K | Relay (... Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.14; 983.92] | J/mol×K | [1027.85; 1265.91] |
|
| Cp,gas | 932.14 | J/mol×K | 1027.85 | Joback Calculated Property |
| Cp,gas | 943.61 | J/mol×K | 1067.53 | Joback Calculated Property |
| Cp,gas | 953.86 | J/mol×K | 1107.20 | Joback Calculated Property |
| Cp,gas | 962.96 | J/mol×K | 1146.88 | Joback Calculated Property |
| Cp,gas | 970.97 | J/mol×K | 1186.55 | Joback Calculated Property |
| Cp,gas | 977.93 | J/mol×K | 1226.23 | Joback Calculated Property |
| Cp,gas | 983.92 | J/mol×K | 1265.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to undecyl 3,5-dinitrobenzoate.
Sources
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