- InChI
- InChI=1S/C17H31BrO4/c1-15(2)14-22-17(20)11-9-10-16(19)21-13-8-6-4-3-5-7-12-18/h15H,3-14H2,1-2H3
- InChI Key
- KRVYWJZRAYMITD-UHFFFAOYSA-N
- Formula
- C17H31BrO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCCCCCCCCB
r - Molecular Weight1
- 379.33
- 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° | -363.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| McVol | 282.770 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | [2457.00; 2457.00] |
|
|
| Inp | 2457.00 | NIST | |
| Inp | 2457.00 | NIST | |
| Tboil | 806.66 | K | Joback Calculated Property |
| Tc | 997.07 | K | Joback Calculated Property |
| Tfus | 470.47 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.85; 920.03] | J/mol×K | [806.66; 997.07] |
|
| Cp,gas | 838.85 | J/mol×K | 806.66 | Joback Calculated Property |
| Cp,gas | 854.69 | J/mol×K | 838.40 | Joback Calculated Property |
| Cp,gas | 869.59 | J/mol×K | 870.13 | Joback Calculated Property |
| Cp,gas | 883.55 | J/mol×K | 901.87 | Joback Calculated Property |
| Cp,gas | 896.60 | J/mol×K | 933.60 | Joback Calculated Property |
| Cp,gas | 908.75 | J/mol×K | 965.34 | Joback Calculated Property |
| Cp,gas | 920.03 | J/mol×K | 997.07 | Joback Calculated Property |
| η | [0.0000595; 0.0008259] | Pa×s | [470.47; 806.66] |
|
| η | 0.0008259 | Pa×s | 470.47 | Joback Calculated Property |
| η | 0.0004218 | Pa×s | 526.50 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 582.53 | Joback Calculated Property |
| η | 0.0001567 | Pa×s | 638.56 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 694.60 | Joback Calculated Property |
| η | 0.0000783 | Pa×s | 750.63 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 806.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-bromooctyl isobutyl ester.
Sources
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