- InChI
- InChI=1S/C17H19BrO4/c18-14-6-8-15(9-7-14)22-17(20)11-10-16(19)21-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2/b11-10+
- InChI Key
- QBCQECIKBXAGHE-ZHACJKMWSA-N
- Formula
- C17H19BrO4
- SMILES
-
O=C(C=CC(=O)Oc1ccc(Br)cc1)OCC1
CCCCC1 - Molecular Weight1
- 367.23
- 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° | -153.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| McVol | 243.850 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | [2582.00; 2582.00] |
|
|
| Inp | 2582.00 | NIST | |
| Inp | 2582.00 | NIST | |
| Tboil | 862.47 | K | Joback Calculated Property |
| Tc | 1105.43 | K | Joback Calculated Property |
| Tfus | 526.71 | K | Joback Calculated Property |
| Vc | 0.902 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.16; 776.79] | J/mol×K | [862.47; 1105.43] |
|
| Cp,gas | 710.16 | J/mol×K | 862.47 | Joback Calculated Property |
| Cp,gas | 724.52 | J/mol×K | 902.96 | Joback Calculated Property |
| Cp,gas | 737.49 | J/mol×K | 943.46 | Joback Calculated Property |
| Cp,gas | 749.14 | J/mol×K | 983.95 | Joback Calculated Property |
| Cp,gas | 759.54 | J/mol×K | 1024.44 | Joback Calculated Property |
| Cp,gas | 768.73 | J/mol×K | 1064.94 | Joback Calculated Property |
| Cp,gas | 776.79 | J/mol×K | 1105.43 | Joback Calculated Property |
| η | [0.0000603; 0.0005601] | Pa×s | [526.71; 862.47] |
|
| η | 0.0005601 | Pa×s | 526.71 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 582.67 | Joback Calculated Property |
| η | 0.0002054 | Pa×s | 638.63 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 694.59 | Joback Calculated Property |
| η | 0.0001016 | Pa×s | 750.55 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 806.51 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 862.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl cyclohexylmethyl ester.
Sources
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