- InChI
- InChI=1S/C15H18BrNO3/c1-3-6-11(2)20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3,(H,17,18)/b10-9+
- InChI Key
- YZPLUFJJPUGYDS-MDZDMXLPSA-N
- Formula
- C15H18BrNO3
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)Nc1ccccc1
Br - Molecular Weight1
- 340.21
- 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° | -3.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 3.676 | Crippen Calculated Property | |
| McVol | 230.640 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | [2446.00; 2446.00] |
|
|
| Inp | 2446.00 | NIST | |
| Inp | 2446.00 | NIST | |
| Tboil | 824.47 | K | Joback Calculated Property |
| Tc | 1049.78 | K | Joback Calculated Property |
| Tfus | 512.22 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.87; 695.48] | J/mol×K | [824.47; 1049.78] |
|
| Cp,gas | 632.87 | J/mol×K | 824.47 | Joback Calculated Property |
| Cp,gas | 645.45 | J/mol×K | 862.02 | Joback Calculated Property |
| Cp,gas | 657.10 | J/mol×K | 899.57 | Joback Calculated Property |
| Cp,gas | 667.86 | J/mol×K | 937.13 | Joback Calculated Property |
| Cp,gas | 677.81 | J/mol×K | 974.68 | Joback Calculated Property |
| Cp,gas | 686.99 | J/mol×K | 1012.23 | Joback Calculated Property |
| Cp,gas | 695.48 | J/mol×K | 1049.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester.
Sources
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