- InChI
- InChI=1S/C26H33BrO5/c1-3-4-5-6-7-8-9-12-17-31-25(28)22-13-10-11-14-23(22)26(29)32-19-20-18-21(27)15-16-24(20)30-2/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3
- InChI Key
- TVAWJRFUHDIQQA-UHFFFAOYSA-N
- Formula
- C26H33BrO5
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
Cc1cc(Br)ccc1OC - Molecular Weight1
- 505.44
- 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° | -194.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.16 | kJ/mol | Joback Calculated Property |
| log10WS | -9.12 | Crippen Calculated Property | |
| logPoct/wat | 7.112 | Crippen Calculated Property | |
| McVol | 367.930 | ml/mol | McGowan Calculated Property |
| Pc | 1146.76 | kPa | Joback Calculated Property |
| Inp | [3398.00; 3398.00] |
|
|
| Inp | 3398.00 | NIST | |
| Inp | 3398.00 | NIST | |
| Tboil | 1103.74 | K | Joback Calculated Property |
| Tc | 1351.31 | K | Joback Calculated Property |
| Tfus | 699.53 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.87; 1233.18] | J/mol×K | [1103.74; 1351.31] |
|
| Cp,gas | 1192.87 | J/mol×K | 1103.74 | Joback Calculated Property |
| Cp,gas | 1203.83 | J/mol×K | 1145.00 | Joback Calculated Property |
| Cp,gas | 1213.03 | J/mol×K | 1186.26 | Joback Calculated Property |
| Cp,gas | 1220.51 | J/mol×K | 1227.52 | Joback Calculated Property |
| Cp,gas | 1226.32 | J/mol×K | 1268.78 | Joback Calculated Property |
| Cp,gas | 1230.53 | J/mol×K | 1310.04 | Joback Calculated Property |
| Cp,gas | 1233.18 | J/mol×K | 1351.31 | Joback Calculated Property |
| η | [0.0000137; 0.0001010] | Pa×s | [699.53; 1103.74] |
|
| η | 0.0001010 | Pa×s | 699.53 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 766.90 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 834.27 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 901.63 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 969.00 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 1036.37 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 1103.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl decyl ester.
Sources
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