- InChI
- InChI=1S/C19H19BrO5/c1-3-10-24-18(21)15-6-4-5-7-16(15)19(22)25-12-13-11-14(20)8-9-17(13)23-2/h4-9,11H,3,10,12H2,1-2H3
- InChI Key
- ALZIFKWDHZADDD-UHFFFAOYSA-N
- Formula
- C19H19BrO5
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cc(B
r)ccc1OC - Molecular Weight1
- 407.25
- 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° | -253.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.19 | Crippen Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 269.300 | ml/mol | McGowan Calculated Property |
| Pc | 1921.98 | kPa | Joback Calculated Property |
| Inp | [2704.00; 2704.00] |
|
|
| Inp | 2704.00 | NIST | |
| Inp | 2704.00 | NIST | |
| Tboil | 943.58 | K | Joback Calculated Property |
| Tc | 1179.23 | K | Joback Calculated Property |
| Tfus | 620.64 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.50; 826.70] | J/mol×K | [943.58; 1179.23] |
|
| Cp,gas | 780.50 | J/mol×K | 943.58 | Joback Calculated Property |
| Cp,gas | 791.59 | J/mol×K | 982.86 | Joback Calculated Property |
| Cp,gas | 801.30 | J/mol×K | 1022.13 | Joback Calculated Property |
| Cp,gas | 809.65 | J/mol×K | 1061.41 | Joback Calculated Property |
| Cp,gas | 816.65 | J/mol×K | 1100.68 | Joback Calculated Property |
| Cp,gas | 822.33 | J/mol×K | 1139.96 | Joback Calculated Property |
| Cp,gas | 826.70 | J/mol×K | 1179.23 | Joback Calculated Property |
| η | [0.0000398; 0.0002266] | Pa×s | [620.64; 943.58] |
|
| η | 0.0002266 | Pa×s | 620.64 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 674.46 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 728.29 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 782.11 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 835.93 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 889.76 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 943.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl propyl ester.
Sources
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