- InChI
- InChI=1S/C29H50BrNO/c1-3-5-7-9-11-13-15-17-19-25-31(29(32)27-21-23-28(30)24-22-27)26-20-18-16-14-12-10-8-6-4-2/h21-24H,3-20,25-26H2,1-2H3
- InChI Key
- UAMOZPMWBQKSBC-UHFFFAOYSA-N
- Formula
- C29H50BrNO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
c1ccc(Br)cc1 - Molecular Weight1
- 508.63
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 74.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 9.953 | Crippen Calculated Property | |
| McVol | 424.760 | ml/mol | McGowan Calculated Property |
| Tboil | 720.20 | K | Relay (1.0) Calculated Property |
| Tfus | 328.45 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [596.39; 1430.02] | 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 | -3.82200e+01 | |||
| Coefficient B | 2.75454e+00 | |||
| Coefficient C | -1.68326e-03 | |||
| Coefficient D | 3.96960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 596.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 743.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 873.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 988.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1089.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1178.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1255.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1321.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1379.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1430.02 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diundecyl-4-bromo-.
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
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