- InChI
- InChI=1S/C20H29BrO4/c1-16(2)15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-10-6-4-3-5-9-13-21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3
- InChI Key
- TWQRUGRSPOYCMV-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCCCC
CCCCBr - 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° | -235.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.392 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Pc | 1420.78 | kPa | Joback Calculated Property |
| Inp | [3102.00; 3102.00] |
|
|
| Inp | 3102.00 | NIST | |
| Inp | 3102.00 | NIST | |
| Tboil | 906.96 | K | Joback Calculated Property |
| Tc | 1119.93 | K | Joback Calculated Property |
| Tfus | 543.22 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.65; 988.85] | J/mol×K | [906.96; 1119.93] |
|
| Cp,gas | 918.65 | J/mol×K | 906.96 | Joback Calculated Property |
| Cp,gas | 933.17 | J/mol×K | 942.46 | Joback Calculated Property |
| Cp,gas | 946.52 | J/mol×K | 977.95 | Joback Calculated Property |
| Cp,gas | 958.72 | J/mol×K | 1013.45 | Joback Calculated Property |
| Cp,gas | 969.82 | J/mol×K | 1048.94 | Joback Calculated Property |
| Cp,gas | 979.85 | J/mol×K | 1084.44 | Joback Calculated Property |
| Cp,gas | 988.85 | J/mol×K | 1119.93 | Joback Calculated Property |
| η | [0.0000392; 0.0004271] | Pa×s | [543.22; 906.96] |
|
| η | 0.0004271 | Pa×s | 543.22 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 603.84 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 664.47 | Joback Calculated Property |
| η | 0.0000959 | Pa×s | 725.09 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 785.71 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 846.34 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 906.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 8-bromoctyl isobutyl ester.
Sources
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