- InChI
- InChI=1S/C15H19BrO4/c1-4-15(5-2,13(17)19-6-3)14(18)20-12-9-7-11(16)8-10-12/h7-10H,4-6H2,1-3H3
- InChI Key
- RTMGFWQMWDZZCG-UHFFFAOYSA-N
- Formula
- C15H19BrO4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(B
r)cc1 - Molecular Weight1
- 343.21
- 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° | -272.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 230.830 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [2018.00; 2018.00] |
|
|
| Inp | 2018.00 | NIST | |
| Inp | 2018.00 | NIST | |
| Tboil | 789.77 | K | Joback Calculated Property |
| Tc | 1012.85 | K | Joback Calculated Property |
| Tfus | 504.29 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.08; 700.11] | J/mol×K | [789.77; 1012.85] |
|
| Cp,gas | 634.08 | J/mol×K | 789.77 | Joback Calculated Property |
| Cp,gas | 647.55 | J/mol×K | 826.95 | Joback Calculated Property |
| Cp,gas | 659.97 | J/mol×K | 864.13 | Joback Calculated Property |
| Cp,gas | 671.39 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 681.86 | J/mol×K | 938.49 | Joback Calculated Property |
| Cp,gas | 691.42 | J/mol×K | 975.67 | Joback Calculated Property |
| Cp,gas | 700.11 | J/mol×K | 1012.85 | Joback Calculated Property |
| η | [0.0000713; 0.0005983] | Pa×s | [504.29; 789.77] |
|
| η | 0.0005983 | Pa×s | 504.29 | Joback Calculated Property |
| η | 0.0003603 | Pa×s | 551.87 | Joback Calculated Property |
| η | 0.0002351 | Pa×s | 599.45 | Joback Calculated Property |
| η | 0.0001634 | Pa×s | 647.03 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 694.61 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 742.19 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 789.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl ethyl ester.
Sources
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