- InChI
- InChI=1S/C13H15BrO5/c1-2-7-18-12(15)8-17-9-13(16)19-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3
- InChI Key
- WOGSWIVLFVNZHO-UHFFFAOYSA-N
- Formula
- C13H15BrO5
- SMILES
- CCCOC(=O)COCC(=O)Oc1ccc(Br)cc1
- Molecular Weight1
- 331.16
- 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° | -397.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.324 | Crippen Calculated Property | |
| McVol | 208.520 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 769.66 | K | Joback Calculated Property |
| Tc | 986.67 | K | Joback Calculated Property |
| Tfus | 501.56 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.77; 608.55] | J/mol×K | [769.66; 986.67] |
|
| Cp,gas | 549.77 | J/mol×K | 769.66 | Joback Calculated Property |
| Cp,gas | 561.91 | J/mol×K | 805.83 | Joback Calculated Property |
| Cp,gas | 573.12 | J/mol×K | 842.00 | Joback Calculated Property |
| Cp,gas | 583.39 | J/mol×K | 878.17 | Joback Calculated Property |
| Cp,gas | 592.72 | J/mol×K | 914.33 | Joback Calculated Property |
| Cp,gas | 601.11 | J/mol×K | 950.50 | Joback Calculated Property |
| Cp,gas | 608.55 | J/mol×K | 986.67 | Joback Calculated Property |
| η | [0.0000880; 0.0005582] | Pa×s | [501.56; 769.66] |
|
| η | 0.0005582 | Pa×s | 501.56 | Joback Calculated Property |
| η | 0.0003617 | Pa×s | 546.24 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 590.93 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 635.61 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 680.29 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 724.98 | Joback Calculated Property |
| η | 0.0000880 | Pa×s | 769.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl propyl ester.
Sources
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