- InChI
- InChI=1S/C21H23BrO5/c1-3-4-7-12-26-20(23)17-8-5-6-9-18(17)21(24)27-14-15-13-16(22)10-11-19(15)25-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
- InChI Key
- XQKFFSHAKFEDLZ-UHFFFAOYSA-N
- Formula
- C21H23BrO5
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
(Br)ccc1OC - Molecular Weight1
- 435.31
- 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° | -236.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.162 | Crippen Calculated Property | |
| McVol | 297.480 | ml/mol | McGowan Calculated Property |
| Pc | 1635.13 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 989.34 | K | Joback Calculated Property |
| Tc | 1223.69 | K | Joback Calculated Property |
| Tfus | 643.18 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.99; 941.45] | J/mol×K | [989.34; 1223.69] |
|
| Cp,gas | 895.99 | J/mol×K | 989.34 | Joback Calculated Property |
| Cp,gas | 907.12 | J/mol×K | 1028.40 | Joback Calculated Property |
| Cp,gas | 916.79 | J/mol×K | 1067.46 | Joback Calculated Property |
| Cp,gas | 925.03 | J/mol×K | 1106.52 | Joback Calculated Property |
| Cp,gas | 931.87 | J/mol×K | 1145.57 | Joback Calculated Property |
| Cp,gas | 937.34 | J/mol×K | 1184.63 | Joback Calculated Property |
| Cp,gas | 941.45 | J/mol×K | 1223.69 | Joback Calculated Property |
| η | [0.0000296; 0.0001824] | Pa×s | [643.18; 989.34] |
|
| η | 0.0001824 | Pa×s | 643.18 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 700.87 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 758.57 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 816.26 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 873.95 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 931.65 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 989.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl pentyl ester.
Sources
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