- InChI
- InChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
- InChI Key
- QPQCGIYRAMNHKH-UHFFFAOYSA-N
- Formula
- C11H12BrNO2
- SMILES
- O=C(c1ccccc1Br)N1CCOCC1
- Molecular Weight1
- 270.12
- 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 | 0.5346 | Relay (... Calculated Property | |
| ΔfG° | 33.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -187.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -1.86 | Relay (... Calculated Property | |
| logPoct/wat | 1.922 | Crippen Calculated Property | |
| McVol | 166.150 | ml/mol | McGowan Calculated Property |
| Pc | 2711.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1885.00; 1885.00] |
|
|
| Inp | 1885.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Tboil | 628.36 | K | Relay (... Calculated Property |
| Tc | 857.05 | K | Relay (... Calculated Property |
| Tfus | 339.79 | K | Relay (... Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, morpholide.
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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