- InChI
- InChI=1S/C24H29BrO5/c1-3-4-5-6-7-10-15-29-23(26)20-11-8-9-12-21(20)24(27)30-17-18-16-19(25)13-14-22(18)28-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
- InChI Key
- PYFVECPFQUUPER-UHFFFAOYSA-N
- Formula
- C24H29BrO5
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1cc(Br)ccc1OC - Molecular Weight1
- 477.39
- 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° | -211.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.71 | kJ/mol | Joback Calculated Property |
| log10WS | -8.28 | Crippen Calculated Property | |
| logPoct/wat | 6.332 | Crippen Calculated Property | |
| McVol | 339.750 | ml/mol | McGowan Calculated Property |
| Pc | 1311.80 | kPa | Joback Calculated Property |
| Inp | [3193.00; 3193.00] |
|
|
| Inp | 3193.00 | NIST | |
| Inp | 3193.00 | NIST | |
| Tboil | 1057.98 | K | Joback Calculated Property |
| Tc | 1297.15 | K | Joback Calculated Property |
| Tfus | 676.99 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1072.97; 1115.87] | J/mol×K | [1057.98; 1297.15] |
|
| Cp,gas | 1072.97 | J/mol×K | 1057.98 | Joback Calculated Property |
| Cp,gas | 1084.02 | J/mol×K | 1097.84 | Joback Calculated Property |
| Cp,gas | 1093.46 | J/mol×K | 1137.70 | Joback Calculated Property |
| Cp,gas | 1101.32 | J/mol×K | 1177.57 | Joback Calculated Property |
| Cp,gas | 1107.65 | J/mol×K | 1217.43 | Joback Calculated Property |
| Cp,gas | 1112.49 | J/mol×K | 1257.29 | Joback Calculated Property |
| Cp,gas | 1115.87 | J/mol×K | 1297.15 | Joback Calculated Property |
| η | [0.0000187; 0.0001289] | Pa×s | [676.99; 1057.98] |
|
| η | 0.0001289 | Pa×s | 676.99 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 740.49 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 803.99 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 867.49 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 930.98 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 994.48 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 1057.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl octyl ester.
Sources
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