- InChI
- InChI=1S/C17H23BrO4/c1-4-15(12(2)3)22-17(20)7-5-6-16(19)21-14-10-8-13(18)9-11-14/h8-12,15H,4-7H2,1-3H3
- InChI Key
- XDZYYGIMZWXSTG-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CCC(OC(=O)CCCC(=O)Oc1ccc(Br)cc
1)C(C)C - Molecular Weight1
- 371.27
- 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° | -263.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 4.503 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Inp | [2367.00; 2367.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2367.00 | NIST | |
| Tboil | 837.88 | K | Joback Calculated Property |
| Tc | 1053.87 | K | Joback Calculated Property |
| Tfus | 494.41 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.13; 813.54] | J/mol×K | [837.88; 1053.87] |
|
| Cp,gas | 745.13 | J/mol×K | 837.88 | Joback Calculated Property |
| Cp,gas | 759.22 | J/mol×K | 873.88 | Joback Calculated Property |
| Cp,gas | 772.20 | J/mol×K | 909.88 | Joback Calculated Property |
| Cp,gas | 784.09 | J/mol×K | 945.88 | Joback Calculated Property |
| Cp,gas | 794.93 | J/mol×K | 981.87 | Joback Calculated Property |
| Cp,gas | 804.74 | J/mol×K | 1017.87 | Joback Calculated Property |
| Cp,gas | 813.54 | J/mol×K | 1053.87 | Joback Calculated Property |
| η | [0.0000561; 0.0006689] | Pa×s | [494.41; 837.88] |
|
| η | 0.0006689 | Pa×s | 494.41 | Joback Calculated Property |
| η | 0.0003571 | Pa×s | 551.65 | Joback Calculated Property |
| η | 0.0002145 | Pa×s | 608.90 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 666.14 | Joback Calculated Property |
| η | 0.0000986 | Pa×s | 723.39 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 780.63 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 837.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 4-bromophenyl ester.
Sources
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