- InChI
- InChI=1S/C18H25BrO4/c1-3-4-5-7-14(2)22-17(20)8-6-9-18(21)23-16-12-10-15(19)11-13-16/h10-14H,3-9H2,1-2H3
- InChI Key
- GEDMKHJWNJHKKN-UHFFFAOYSA-N
- Formula
- C18H25BrO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(
Br)cc1 - Molecular Weight1
- 385.29
- 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° | -252.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.11 | Crippen Calculated Property | |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 273.100 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [2486.00; 2486.00] |
|
|
| Inp | 2486.00 | NIST | |
| Inp | 2486.00 | NIST | |
| Tboil | 861.20 | K | Joback Calculated Property |
| Tc | 1073.69 | K | Joback Calculated Property |
| Tfus | 520.68 | K | Joback Calculated Property |
| Vc | 1.040 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.82; 870.71] | J/mol×K | [861.20; 1073.69] |
|
| Cp,gas | 801.82 | J/mol×K | 861.20 | Joback Calculated Property |
| Cp,gas | 815.96 | J/mol×K | 896.62 | Joback Calculated Property |
| Cp,gas | 829.00 | J/mol×K | 932.03 | Joback Calculated Property |
| Cp,gas | 840.97 | J/mol×K | 967.45 | Joback Calculated Property |
| Cp,gas | 851.89 | J/mol×K | 1002.86 | Joback Calculated Property |
| Cp,gas | 861.79 | J/mol×K | 1038.28 | Joback Calculated Property |
| Cp,gas | 870.71 | J/mol×K | 1073.69 | Joback Calculated Property |
| η | [0.0000528; 0.0005342] | Pa×s | [520.68; 861.20] |
|
| η | 0.0005342 | Pa×s | 520.68 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 577.43 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 634.19 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 690.94 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 747.69 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 804.45 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 861.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 4-bromophenyl ester.
Sources
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