- InChI
- InChI=1S/C16H12Br2O5/c17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h1-8H,9-10H2
- InChI Key
- TXHVJPLIBJHVLN-UHFFFAOYSA-N
- Formula
- C16H12Br2O5
- SMILES
-
O=C(COCC(=O)Oc1ccc(Br)cc1)Oc1c
cc(Br)cc1 - Molecular Weight1
- 444.07
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8599 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.739 | Crippen Calculated Property | |
| McVol | 244.530 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [3572.00; 3572.00] |
|
|
| Inp | 3572.00 | NIST | |
| Inp | 3572.00 | NIST | |
| Tboil | 692.20 | K | Relay (1.0) Calculated Property |
| Tc | 937.74 | K | Relay (1.0) Calculated Property |
| Tfus | 397.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.30; 675.54] | J/mol×K | [936.12; 1187.55] |
|
| Cp,gas | 640.30 | J/mol×K | 936.12 | Joback Calculated Property |
| Cp,gas | 649.17 | J/mol×K | 978.02 | Joback Calculated Property |
| Cp,gas | 656.81 | J/mol×K | 1019.93 | Joback Calculated Property |
| Cp,gas | 663.24 | J/mol×K | 1061.83 | Joback Calculated Property |
| Cp,gas | 668.48 | J/mol×K | 1103.74 | Joback Calculated Property |
| Cp,gas | 672.57 | J/mol×K | 1145.64 | Joback Calculated Property |
| Cp,gas | 675.54 | J/mol×K | 1187.55 | Joback Calculated Property |
| η | [0.0000464; 0.0002377] | Pa×s | [634.11; 936.12] |
|
| η | 0.0002377 | Pa×s | 634.11 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 684.45 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 734.78 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 785.12 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 835.45 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 885.79 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 936.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(4-bromophenyl) ester.
Sources
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