- InChI
- InChI=1S/C23H34BrNO3/c1-2-3-4-5-6-7-8-9-12-18-28-23(27)21-16-13-17-25(21)22(26)19-14-10-11-15-20(19)24/h10-11,14-15,21H,2-9,12-13,16-18H2,1H3
- InChI Key
- WAMDMYBYGIGPFF-UHFFFAOYSA-N
- Formula
- C23H34BrNO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)c
1ccccc1Br - Molecular Weight1
- 452.43
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.0023 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -645.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.128 | Crippen Calculated Property | |
| McVol | 336.800 | ml/mol | McGowan Calculated Property |
| Pc | 916.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3216.00; 3216.00] |
|
|
| Inp | 3216.00 | NIST | |
| Inp | 3216.00 | NIST | |
| Tboil | 704.56 | K | Relay (1.0) Calculated Property |
| Tc | 936.13 | K | Relay (1.0) Calculated Property |
| Tfus | 331.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.221 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-bromobenzoyl)-, undecyl 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
- McGowan Method
- NIST Webbook
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