- InChI
- InChI=1S/C14H17BrO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3
- InChI Key
- FEEBAZSOAHUQMQ-UHFFFAOYSA-N
- Formula
- C14H17BrO5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccc(Br)
cc1 - Molecular Weight1
- 345.19
- 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° | -391.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.570 | Crippen Calculated Property | |
| McVol | 222.610 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 792.10 | K | Joback Calculated Property |
| Tc | 1009.85 | K | Joback Calculated Property |
| Tfus | 497.83 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.29; 665.15] | J/mol×K | [792.10; 1009.85] |
|
| Cp,gas | 604.29 | J/mol×K | 792.10 | Joback Calculated Property |
| Cp,gas | 616.98 | J/mol×K | 828.39 | Joback Calculated Property |
| Cp,gas | 628.65 | J/mol×K | 864.68 | Joback Calculated Property |
| Cp,gas | 639.30 | J/mol×K | 900.98 | Joback Calculated Property |
| Cp,gas | 648.93 | J/mol×K | 937.27 | Joback Calculated Property |
| Cp,gas | 657.55 | J/mol×K | 973.56 | Joback Calculated Property |
| Cp,gas | 665.15 | J/mol×K | 1009.85 | Joback Calculated Property |
| η | [0.0000704; 0.0005657] | Pa×s | [497.83; 792.10] |
|
| η | 0.0005657 | Pa×s | 497.83 | Joback Calculated Property |
| η | 0.0003421 | Pa×s | 546.88 | Joback Calculated Property |
| η | 0.0002247 | Pa×s | 595.92 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 644.96 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 694.01 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 743.05 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 792.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-bromophenyl isobutyl ester.
Sources
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