- InChI
- InChI=1S/C16H21BrO4/c1-11(2)12(3)20-15(18)5-4-6-16(19)21-14-9-7-13(17)8-10-14/h7-12H,4-6H2,1-3H3
- InChI Key
- FFVHPRGSXORMDM-UHFFFAOYSA-N
- Formula
- C16H21BrO4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)Oc1ccc(
Br)cc1 - Molecular Weight1
- 357.24
- 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° | -271.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.112 | Crippen Calculated Property | |
| McVol | 244.920 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | [2282.00; 2282.00] |
|
|
| Inp | 2282.00 | NIST | |
| Inp | 2282.00 | NIST | |
| Tboil | 815.00 | K | Joback Calculated Property |
| Tc | 1032.80 | K | Joback Calculated Property |
| Tfus | 483.14 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.76; 756.22] | J/mol×K | [815.00; 1032.80] |
|
| Cp,gas | 688.76 | J/mol×K | 815.00 | Joback Calculated Property |
| Cp,gas | 702.63 | J/mol×K | 851.30 | Joback Calculated Property |
| Cp,gas | 715.42 | J/mol×K | 887.60 | Joback Calculated Property |
| Cp,gas | 727.15 | J/mol×K | 923.90 | Joback Calculated Property |
| Cp,gas | 737.84 | J/mol×K | 960.20 | Joback Calculated Property |
| Cp,gas | 747.52 | J/mol×K | 996.50 | Joback Calculated Property |
| Cp,gas | 756.22 | J/mol×K | 1032.80 | Joback Calculated Property |
| η | [0.0000648; 0.0007442] | Pa×s | [483.14; 815.00] |
|
| η | 0.0007442 | Pa×s | 483.14 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 538.45 | Joback Calculated Property |
| η | 0.0002436 | Pa×s | 593.76 | Joback Calculated Property |
| η | 0.0001608 | Pa×s | 649.07 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 704.38 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 759.69 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 815.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-bromophenyl ester.
Sources
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