- InChI
- InChI=1S/C18H23BrO4/c1-3-5-6-14(4-2)13-22-17(20)11-12-18(21)23-16-9-7-15(19)8-10-16/h7-12,14H,3-6,13H2,1-2H3/b12-11+
- InChI Key
- UEDJPDQMTDLZMH-VAWYXSNFSA-N
- Formula
- C18H23BrO4
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc
(Br)cc1 - Molecular Weight1
- 383.28
- 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° | -172.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 268.800 | ml/mol | McGowan Calculated Property |
| Pc | 1723.16 | kPa | Joback Calculated Property |
| Inp | [2507.00; 2507.00] |
|
|
| Inp | 2507.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Tboil | 865.36 | K | Joback Calculated Property |
| Tc | 1083.00 | K | Joback Calculated Property |
| Tfus | 515.60 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.63; 842.29] | J/mol×K | [865.36; 1083.00] |
|
| Cp,gas | 774.63 | J/mol×K | 865.36 | Joback Calculated Property |
| Cp,gas | 788.35 | J/mol×K | 901.63 | Joback Calculated Property |
| Cp,gas | 801.03 | J/mol×K | 937.91 | Joback Calculated Property |
| Cp,gas | 812.72 | J/mol×K | 974.18 | Joback Calculated Property |
| Cp,gas | 823.47 | J/mol×K | 1010.46 | Joback Calculated Property |
| Cp,gas | 833.31 | J/mol×K | 1046.73 | Joback Calculated Property |
| Cp,gas | 842.29 | J/mol×K | 1083.00 | Joback Calculated Property |
| η | [0.0000461; 0.0004933] | Pa×s | [515.60; 865.36] |
|
| η | 0.0004933 | Pa×s | 515.60 | Joback Calculated Property |
| η | 0.0002719 | Pa×s | 573.89 | Joback Calculated Property |
| η | 0.0001673 | Pa×s | 632.19 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 690.48 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 748.77 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 807.07 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 865.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 2-ethylhexyl ester.
Sources
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