- InChI
- InChI=1S/C27H35BrO5/c1-2-3-4-5-6-7-8-9-12-19-32-26(29)24-13-10-11-14-25(24)27(30)33-21-20-31-23-17-15-22(28)16-18-23/h10-11,13-18H,2-9,12,19-21H2,1H3
- InChI Key
- ROJPDMHJWHQHSS-UHFFFAOYSA-N
- Formula
- C27H35BrO5
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCCOc1ccc(Br)cc1 - Molecular Weight1
- 519.47
- 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° | -176.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.73 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 7.372 | Crippen Calculated Property | |
| McVol | 382.020 | ml/mol | McGowan Calculated Property |
| Pc | 1086.35 | kPa | Joback Calculated Property |
| Inp | [3533.00; 3533.00] |
|
|
| Inp | 3533.00 | NIST | |
| Inp | 3533.00 | NIST | |
| Tboil | 1121.64 | K | Joback Calculated Property |
| Tc | 1373.94 | K | Joback Calculated Property |
| Tfus | 698.28 | K | Joback Calculated Property |
| Vc | 1.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1255.06; 1297.23] | J/mol×K | [1121.64; 1373.94] |
|
| Cp,gas | 1255.06 | J/mol×K | 1121.64 | Joback Calculated Property |
| Cp,gas | 1266.31 | J/mol×K | 1163.69 | Joback Calculated Property |
| Cp,gas | 1275.78 | J/mol×K | 1205.74 | Joback Calculated Property |
| Cp,gas | 1283.53 | J/mol×K | 1247.79 | Joback Calculated Property |
| Cp,gas | 1289.64 | J/mol×K | 1289.84 | Joback Calculated Property |
| Cp,gas | 1294.18 | J/mol×K | 1331.89 | Joback Calculated Property |
| Cp,gas | 1297.23 | J/mol×K | 1373.94 | Joback Calculated Property |
| η | [0.0000113; 0.0000963] | Pa×s | [698.28; 1121.64] |
|
| η | 0.0000963 | Pa×s | 698.28 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 768.84 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 839.40 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 909.96 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 980.52 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 1051.08 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1121.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl undecyl ester.
Sources
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