- InChI
- InChI=1S/C23H33NO6/c1-2-3-4-5-6-7-8-9-10-11-19-29-22(25)13-12-14-23(26)30-21-17-15-20(16-18-21)24(27)28/h10-11,15-18H,2-9,12-14,19H2,1H3/b11-10+
- InChI Key
- BCEXNCFZVUCOCR-ZHACJKMWSA-N
- Formula
- C23H33NO6
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCCC(=O)O
c1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 419.52
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 69.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.911 | Crippen Calculated Property | |
| McVol | 339.170 | ml/mol | McGowan Calculated Property |
| Inp | [3223.00; 3223.00] |
|
|
| Inp | 3223.00 | NIST | |
| Inp | 3223.00 | NIST | |
| Tboil | 682.73 | K | Relay (1.0) Calculated Property |
| Tc | 926.77 | K | Relay (1.0) Calculated Property |
| Tfus | 318.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.53; 1116.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.50200e+00 | |||
| Coefficient B | 2.06018e+00 | |||
| Coefficient C | -1.16456e-03 | |||
| Coefficient D | 2.16100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 484.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 597.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 697.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 786.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 864.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 932.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 990.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1040.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1082.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1116.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 4-nitrophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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