- InChI
- InChI=1S/C12H12BrNO3/c1-14(2)11(15)7-8-12(16)17-10-5-3-9(13)4-6-10/h3-8H,1-2H3/b8-7+
- InChI Key
- AXAWANFJJMMQAK-BQYQJAHWSA-N
- Formula
- C12H12BrNO3
- SMILES
-
CN(C)C(=O)C=CC(=O)Oc1ccc(Br)cc
1 - Molecular Weight1
- 298.13
- ω : Acentric Factor.
- 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).
- 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 | 0.6627 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.999 | Crippen Calculated Property | |
| McVol | 188.370 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | 2334.00 | NIST | |
| Tboil | 592.95 | K | Relay (1.0) Calculated Property |
| Tc | 826.36 | K | Relay (1.0) Calculated Property |
| Tfus | 402.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.78; 520.34] | J/mol×K | [718.54; 948.92] | 
|
| Cp,gas | 461.78 | J/mol×K | 718.54 | Joback Calculated Property |
| Cp,gas | 473.60 | J/mol×K | 756.94 | Joback Calculated Property |
| Cp,gas | 484.52 | J/mol×K | 795.33 | Joback Calculated Property |
| Cp,gas | 494.60 | J/mol×K | 833.73 | Joback Calculated Property |
| Cp,gas | 503.88 | J/mol×K | 872.12 | Joback Calculated Property |
| Cp,gas | 512.44 | J/mol×K | 910.52 | Joback Calculated Property |
| Cp,gas | 520.34 | J/mol×K | 948.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 4-bromophenyl ester.
Sources
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