- InChI
- InChI=1S/C15H17BrO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-11H,1-3H3/b9-8+
- InChI Key
- FKSBAJRHMLROJH-CMDGGOBGSA-N
- Formula
- C15H17BrO4
- SMILES
-
CC(C)C(C)OC(=O)C=CC(=O)Oc1ccc(
Br)cc1 - Molecular Weight1
- 341.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -199.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 226.530 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [2160.00; 2160.00] |
|
|
| Inp | 2160.00 | NIST | |
| Inp | 2160.00 | NIST | |
| Tboil | 796.28 | K | Joback Calculated Property |
| Tc | 1023.66 | K | Joback Calculated Property |
| Tfus | 466.79 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.46; 671.34] | J/mol×K | [796.28; 1023.66] |
|
| Cp,gas | 607.46 | J/mol×K | 796.28 | Joback Calculated Property |
| Cp,gas | 620.53 | J/mol×K | 834.18 | Joback Calculated Property |
| Cp,gas | 632.59 | J/mol×K | 872.07 | Joback Calculated Property |
| Cp,gas | 643.65 | J/mol×K | 909.97 | Joback Calculated Property |
| Cp,gas | 653.78 | J/mol×K | 947.86 | Joback Calculated Property |
| Cp,gas | 662.99 | J/mol×K | 985.76 | Joback Calculated Property |
| Cp,gas | 671.34 | J/mol×K | 1023.66 | Joback Calculated Property |
| η | [0.0000650; 0.0007626] | Pa×s | [466.79; 796.28] |
|
| η | 0.0007626 | Pa×s | 466.79 | Joback Calculated Property |
| η | 0.0004076 | Pa×s | 521.71 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 576.62 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 631.53 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 686.45 | Joback Calculated Property |
| η | 0.0000841 | Pa×s | 741.37 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 796.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 3-methylbut-2-yl ester.
Sources
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