- InChI
- InChI=1S/C20H21BrO5/c1-3-4-11-25-19(22)16-7-5-6-8-17(16)20(23)26-13-14-12-15(21)9-10-18(14)24-2/h5-10,12H,3-4,11,13H2,1-2H3
- InChI Key
- KZJIFANCWXWHBU-UHFFFAOYSA-N
- Formula
- C20H21BrO5
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCc1cc(
Br)ccc1OC - 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° | -245.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.81 | kJ/mol | Joback Calculated Property |
| log10WS | -6.60 | Crippen Calculated Property | |
| logPoct/wat | 4.772 | Crippen Calculated Property | |
| McVol | 283.390 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [2799.00; 2799.00] |
|
|
| Inp | 2799.00 | NIST | |
| Inp | 2799.00 | NIST | |
| Tboil | 966.46 | K | Joback Calculated Property |
| Tc | 1201.04 | K | Joback Calculated Property |
| Tfus | 631.91 | K | Joback Calculated Property |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.96; 883.89] | J/mol×K | [966.46; 1201.04] |
|
| Cp,gas | 837.96 | J/mol×K | 966.46 | Joback Calculated Property |
| Cp,gas | 849.08 | J/mol×K | 1005.56 | Joback Calculated Property |
| Cp,gas | 858.78 | J/mol×K | 1044.65 | Joback Calculated Property |
| Cp,gas | 867.10 | J/mol×K | 1083.75 | Joback Calculated Property |
| Cp,gas | 874.04 | J/mol×K | 1122.85 | Joback Calculated Property |
| Cp,gas | 879.63 | J/mol×K | 1161.95 | Joback Calculated Property |
| Cp,gas | 883.89 | J/mol×K | 1201.04 | Joback Calculated Property |
| η | [0.0000343; 0.0002036] | Pa×s | [631.91; 966.46] |
|
| η | 0.0002036 | Pa×s | 631.91 | Joback Calculated Property |
| η | 0.0001342 | Pa×s | 687.67 | Joback Calculated Property |
| η | 0.0000941 | Pa×s | 743.43 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 799.19 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 854.94 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 910.70 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 966.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl butyl ester.
Sources
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