- InChI
- InChI=1S/C17H23BrO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3
- InChI Key
- CXRQJFPINBHXQQ-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCCc1ccc(B
r)cc1 - 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° | -260.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | [2495.00; 2495.00] |
|
|
| Inp | 2495.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Tboil | 838.32 | K | Joback Calculated Property |
| Tc | 1051.65 | K | Joback Calculated Property |
| Tfus | 509.41 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.57; 812.60] | J/mol×K | [838.32; 1051.65] |
|
| Cp,gas | 744.57 | J/mol×K | 838.32 | Joback Calculated Property |
| Cp,gas | 758.50 | J/mol×K | 873.87 | Joback Calculated Property |
| Cp,gas | 771.36 | J/mol×K | 909.43 | Joback Calculated Property |
| Cp,gas | 783.18 | J/mol×K | 944.98 | Joback Calculated Property |
| Cp,gas | 793.97 | J/mol×K | 980.54 | Joback Calculated Property |
| Cp,gas | 803.77 | J/mol×K | 1016.09 | Joback Calculated Property |
| Cp,gas | 812.60 | J/mol×K | 1051.65 | Joback Calculated Property |
| η | [0.0000612; 0.0005943] | Pa×s | [509.41; 838.32] |
|
| η | 0.0005943 | Pa×s | 509.41 | Joback Calculated Property |
| η | 0.0003384 | Pa×s | 564.23 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 619.05 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 673.87 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 728.68 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 783.50 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 838.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(4-bromophenyl)ethyl isobutyl ester.
Sources
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