- InChI
- InChI=1S/C14H17BrO5/c1-3-19-13(16)5-4-6-14(17)20-11-8-7-10(15)9-12(11)18-2/h7-9H,3-6H2,1-2H3
- InChI Key
- KXLUJJPWVGOXEI-UHFFFAOYSA-N
- Formula
- C14H17BrO5
- SMILES
-
CCOC(=O)CCCC(=O)Oc1ccc(Br)cc1O
C - Molecular Weight1
- 345.19
- 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° | -398.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.096 | Crippen Calculated Property | |
| McVol | 222.610 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | [2221.00; 2221.00] |
|
|
| Inp | 2221.00 | NIST | |
| Inp | 2221.00 | NIST | |
| Tboil | 797.52 | K | Joback Calculated Property |
| Tc | 1012.86 | K | Joback Calculated Property |
| Tfus | 525.35 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.37; 662.17] | J/mol×K | [797.52; 1012.86] |
|
| Cp,gas | 602.37 | J/mol×K | 797.52 | Joback Calculated Property |
| Cp,gas | 614.80 | J/mol×K | 833.41 | Joback Calculated Property |
| Cp,gas | 626.24 | J/mol×K | 869.30 | Joback Calculated Property |
| Cp,gas | 636.71 | J/mol×K | 905.19 | Joback Calculated Property |
| Cp,gas | 646.19 | J/mol×K | 941.08 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 976.97 | Joback Calculated Property |
| Cp,gas | 662.17 | J/mol×K | 1012.86 | Joback Calculated Property |
| η | [0.0000772; 0.0004471] | Pa×s | [525.35; 797.52] |
|
| η | 0.0004471 | Pa×s | 525.35 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 570.71 | Joback Calculated Property |
| η | 0.0002096 | Pa×s | 616.07 | Joback Calculated Property |
| η | 0.0001551 | Pa×s | 661.43 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 706.80 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 752.16 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 797.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-bromo-2-methoxyphenyl ethyl ester.
Sources
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