- InChI
- InChI=1S/C11H11BrN2O4/c1-7(10(14(16)17)11(15)18-2)13-9-6-4-3-5-8(9)12/h3-6,13H,1-2H3/b10-7-
- InChI Key
- YTXNBNGNYHWPFP-YFHOEESVSA-N
- Formula
- C11H11BrN2O4
- SMILES
-
COC(=O)C(=C(C)Nc1ccccc1Br)[N+]
(=O)[O-] - Molecular Weight1
- 315.12
- CAS
- 127727-83-7
- 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).
- 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° | 112.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 2.542 | Crippen Calculated Property | |
| McVol | 190.130 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 831.12 | K | Joback Calculated Property |
| Tc | 1086.81 | K | Joback Calculated Property |
| Tfus | 547.90 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.05; 547.94] | J/mol×K | [831.12; 1086.81] | 
|
| Cp,gas | 498.05 | J/mol×K | 831.12 | Joback Calculated Property |
| Cp,gas | 508.32 | J/mol×K | 873.74 | Joback Calculated Property |
| Cp,gas | 517.71 | J/mol×K | 916.35 | Joback Calculated Property |
| Cp,gas | 526.29 | J/mol×K | 958.97 | Joback Calculated Property |
| Cp,gas | 534.13 | J/mol×K | 1001.58 | Joback Calculated Property |
| Cp,gas | 541.32 | J/mol×K | 1044.20 | Joback Calculated Property |
| Cp,gas | 547.94 | J/mol×K | 1086.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-(o-Bromophenylamino)-2-nitrocrotonic acid methyl ester.
Sources
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