- InChI
- InChI=1S/C15H20BrNO3/c1-2-3-11-20-15(19)10-6-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18)
- InChI Key
- ZLVCPRSSZOYJII-UHFFFAOYSA-N
- Formula
- C15H20BrNO3
- SMILES
- CCCCOC(=O)CCCC(=O)Nc1ccccc1Br
- Molecular Weight1
- 342.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -80.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 234.940 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | 2650.00 | NIST | |
| Tboil | 820.75 | K | Joback Calculated Property |
| Tc | 1036.51 | K | Joback Calculated Property |
| Tfus | 532.30 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.84; 722.80] | J/mol×K | [820.75; 1036.51] | 
|
| Cp,gas | 658.84 | J/mol×K | 820.75 | Joback Calculated Property |
| Cp,gas | 671.75 | J/mol×K | 856.71 | Joback Calculated Property |
| Cp,gas | 683.71 | J/mol×K | 892.67 | Joback Calculated Property |
| Cp,gas | 694.76 | J/mol×K | 928.63 | Joback Calculated Property |
| Cp,gas | 704.93 | J/mol×K | 964.59 | Joback Calculated Property |
| Cp,gas | 714.26 | J/mol×K | 1000.55 | Joback Calculated Property |
| Cp,gas | 722.80 | J/mol×K | 1036.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-bromophenyl)-, butyl ester.
Sources
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