- InChI
- InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
- InChI Key
- XAPZDPAQBOLZBM-UHFFFAOYSA-N
- Formula
- C27H35BrO4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCCc1cccc(Br)c1 - Molecular Weight1
- 503.47
- 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° | -71.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.32 | kJ/mol | Joback Calculated Property |
| log10WS | -9.34 | Crippen Calculated Property | |
| logPoct/wat | 7.536 | Crippen Calculated Property | |
| McVol | 376.150 | ml/mol | McGowan Calculated Property |
| Pc | 1098.62 | kPa | Joback Calculated Property |
| Inp | [3485.00; 3485.00] |
|
|
| Inp | 3485.00 | NIST | |
| Inp | 3485.00 | NIST | |
| Tboil | 1099.22 | K | Joback Calculated Property |
| Tc | 1345.78 | K | Joback Calculated Property |
| Tfus | 676.05 | K | Joback Calculated Property |
| Vc | 1.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1230.93; 1287.44] | J/mol×K | [1099.22; 1345.78] |
|
| Cp,gas | 1230.93 | J/mol×K | 1099.22 | Joback Calculated Property |
| Cp,gas | 1243.77 | J/mol×K | 1140.31 | Joback Calculated Property |
| Cp,gas | 1255.12 | J/mol×K | 1181.41 | Joback Calculated Property |
| Cp,gas | 1265.07 | J/mol×K | 1222.50 | Joback Calculated Property |
| Cp,gas | 1273.71 | J/mol×K | 1263.59 | Joback Calculated Property |
| Cp,gas | 1281.14 | J/mol×K | 1304.69 | Joback Calculated Property |
| Cp,gas | 1287.44 | J/mol×K | 1345.78 | Joback Calculated Property |
| η | [0.0000155; 0.0001381] | Pa×s | [676.05; 1099.22] |
|
| η | 0.0001381 | Pa×s | 676.05 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 746.58 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 817.11 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 887.63 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 958.16 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 1028.69 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 1099.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(3-bromophenyl)ethyl undecyl ester.
Sources
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