- InChI
- InChI=1S/C12H13BrO5/c1-2-17-11(14)7-16-8-12(15)18-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3
- InChI Key
- ZHPIODIONHJSLY-UHFFFAOYSA-N
- Formula
- C12H13BrO5
- SMILES
- CCOC(=O)COCC(=O)Oc1ccc(Br)cc1
- Molecular Weight1
- 317.13
- 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° | -405.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 1.934 | Crippen Calculated Property | |
| McVol | 194.430 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | 2513.00 | NIST | |
| Tboil | 746.78 | K | Joback Calculated Property |
| Tc | 966.76 | K | Joback Calculated Property |
| Tfus | 490.29 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.94; 553.73] | J/mol×K | [746.78; 966.76] | 
|
| Cp,gas | 496.94 | J/mol×K | 746.78 | Joback Calculated Property |
| Cp,gas | 508.66 | J/mol×K | 783.44 | Joback Calculated Property |
| Cp,gas | 519.48 | J/mol×K | 820.11 | Joback Calculated Property |
| Cp,gas | 529.40 | J/mol×K | 856.77 | Joback Calculated Property |
| Cp,gas | 538.42 | J/mol×K | 893.44 | Joback Calculated Property |
| Cp,gas | 546.53 | J/mol×K | 930.10 | Joback Calculated Property |
| Cp,gas | 553.73 | J/mol×K | 966.76 | Joback Calculated Property |
| η | [0.0001008; 0.0006081] | Pa×s | [490.29; 746.78] |
|
| η | 0.0006081 | Pa×s | 490.29 | Joback Calculated Property |
| η | 0.0003997 | Pa×s | 533.04 | Joback Calculated Property |
| η | 0.0002796 | Pa×s | 575.79 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 618.54 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 661.28 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 704.03 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 746.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl ethyl ester.
Sources
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