- InChI
- InChI=1S/C20H21BrO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-10-15(21)8-9-18(14)24-3/h4-10,13H,11-12H2,1-3H3
- InChI Key
- VAFNTFBFKXHXOZ-UHFFFAOYSA-N
- Formula
- C20H21BrO5
- SMILES
-
COc1ccc(Br)cc1COC(=O)c1ccccc1C
(=O)OCC(C)C - Molecular Weight1
- 421.28
- 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° | -247.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 4.627 | Crippen Calculated Property | |
| McVol | 283.390 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Inp | [2742.00; 2742.00] |
|
|
| Inp | 2742.00 | NIST | |
| Inp | 2742.00 | NIST | |
| Tboil | 966.02 | K | Joback Calculated Property |
| Tc | 1202.98 | K | Joback Calculated Property |
| Tfus | 616.91 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.43; 884.01] | J/mol×K | [966.02; 1202.98] |
|
| Cp,gas | 838.43 | J/mol×K | 966.02 | Joback Calculated Property |
| Cp,gas | 849.59 | J/mol×K | 1005.51 | Joback Calculated Property |
| Cp,gas | 859.30 | J/mol×K | 1045.01 | Joback Calculated Property |
| Cp,gas | 867.58 | J/mol×K | 1084.50 | Joback Calculated Property |
| Cp,gas | 874.44 | J/mol×K | 1123.99 | Joback Calculated Property |
| Cp,gas | 879.91 | J/mol×K | 1163.49 | Joback Calculated Property |
| Cp,gas | 884.01 | J/mol×K | 1202.98 | Joback Calculated Property |
| η | [0.0000313; 0.0002145] | Pa×s | [616.91; 966.02] |
|
| η | 0.0002145 | Pa×s | 616.91 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 675.10 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 733.28 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 791.47 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 849.65 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 907.84 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 966.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester.
Sources
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