- InChI
- InChI=1S/C20H37BrO4/c1-4-12-18(17(2)3)25-20(23)14-11-13-19(22)24-16-10-8-6-5-7-9-15-21/h17-18H,4-16H2,1-3H3
- InChI Key
- JKABGAHLUMCFLL-UHFFFAOYSA-N
- Formula
- C20H37BrO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCCCCCCCCBr
)C(C)C - Molecular Weight1
- 421.41
- 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° | -340.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.08 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.803 | Crippen Calculated Property | |
| McVol | 325.040 | ml/mol | McGowan Calculated Property |
| Pc | 1140.57 | kPa | Joback Calculated Property |
| Inp | [2663.00; 2663.00] |
|
|
| Inp | 2663.00 | NIST | |
| Inp | 2663.00 | NIST | |
| Tboil | 874.86 | K | Joback Calculated Property |
| Tc | 1073.05 | K | Joback Calculated Property |
| Tfus | 489.28 | K | Joback Calculated Property |
| Vc | 1.254 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1018.04; 1103.23] | J/mol×K | [874.86; 1073.05] |
|
| Cp,gas | 1018.04 | J/mol×K | 874.86 | Joback Calculated Property |
| Cp,gas | 1034.99 | J/mol×K | 907.89 | Joback Calculated Property |
| Cp,gas | 1050.81 | J/mol×K | 940.92 | Joback Calculated Property |
| Cp,gas | 1065.51 | J/mol×K | 973.96 | Joback Calculated Property |
| Cp,gas | 1079.12 | J/mol×K | 1006.99 | Joback Calculated Property |
| Cp,gas | 1091.69 | J/mol×K | 1040.02 | Joback Calculated Property |
| Cp,gas | 1103.23 | J/mol×K | 1073.05 | Joback Calculated Property |
| η | [0.0000344; 0.0006668] | Pa×s | [489.28; 874.86] |
|
| η | 0.0006668 | Pa×s | 489.28 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 553.54 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 617.81 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 682.07 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 746.33 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 810.60 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 874.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-bromooctyl 2-methylhex-3-yl ester.
Sources
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