- InChI
- InChI=1S/C20H29BrO4/c1-4-7-18(15(2)3)25-20(23)11-6-10-19(22)24-13-12-16-8-5-9-17(21)14-16/h5,8-9,14-15,18H,4,6-7,10-13H2,1-3H3
- InChI Key
- VGYVRGQVRCFKDX-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCCc1cccc(B
r)c1)C(C)C - Molecular Weight1
- 413.35
- 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° | -238.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.02 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.073 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Pc | 1429.38 | kPa | Joback Calculated Property |
| Inp | [2660.00; 2660.00] |
|
|
| Inp | 2660.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 906.52 | K | Joback Calculated Property |
| Tc | 1121.15 | K | Joback Calculated Property |
| Tfus | 528.22 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.14; 989.37] | J/mol×K | [906.52; 1121.15] |
|
| Cp,gas | 919.14 | J/mol×K | 906.52 | Joback Calculated Property |
| Cp,gas | 933.74 | J/mol×K | 942.29 | Joback Calculated Property |
| Cp,gas | 947.14 | J/mol×K | 978.06 | Joback Calculated Property |
| Cp,gas | 959.36 | J/mol×K | 1013.84 | Joback Calculated Property |
| Cp,gas | 970.45 | J/mol×K | 1049.61 | Joback Calculated Property |
| Cp,gas | 980.44 | J/mol×K | 1085.38 | Joback Calculated Property |
| Cp,gas | 989.37 | J/mol×K | 1121.15 | Joback Calculated Property |
| η | [0.0000358; 0.0004752] | Pa×s | [528.22; 906.52] |
|
| η | 0.0004752 | Pa×s | 528.22 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 591.27 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 654.32 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 717.37 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 780.42 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 843.47 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 906.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(3-bromophenyl)ethyl 2-methylhex-3-yl ester.
Sources
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