- InChI
- InChI=1S/C26H40BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-31-26(30)24-19-16-20-28(24)25(29)22-17-13-14-18-23(22)27/h13-14,17-18,24H,2-12,15-16,19-21H2,1H3
- InChI Key
- IXLDKFNERBEMFI-UHFFFAOYSA-N
- Formula
- C26H40BrNO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCN1C(=
O)c1ccccc1Br - Molecular Weight1
- 494.50
- 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 | 1.1132 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -709.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.298 | Crippen Calculated Property | |
| McVol | 379.070 | ml/mol | McGowan Calculated Property |
| Pc | 653.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3535.00 | NIST | |
| Tboil | 723.84 | K | Relay (1.0) Calculated Property |
| Tc | 954.62 | K | Relay (1.0) Calculated Property |
| Tfus | 334.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.383 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-bromobenzoyl)-, tetradecyl 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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