- InChI
- InChI=1S/C28H36BrFO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(30)17-18-26(22)29/h12-13,15-18,20H,2-11,14,19,21H2,1H3
- InChI Key
- OIQITNGGQNQCAE-UHFFFAOYSA-N
- Formula
- C28H36BrFO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cc(F)ccc1Br - Molecular Weight1
- 535.49
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2524 | Relay (1.0) Calculated Property | |
| ΔfG° | -267.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.413 | Crippen Calculated Property | |
| McVol | 392.010 | ml/mol | McGowan Calculated Property |
| Pc | 993.25 | kPa | Joback Calculated Property |
| Inp | 3896.00 | NIST | |
| Tboil | 734.03 | K | Relay (1.0) Calculated Property |
| Tc | 963.59 | K | Relay (1.0) Calculated Property |
| Tfus | 311.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1296.99; 1350.24] | J/mol×K | [1126.35; 1381.70] | 
|
| Cp,gas | 1296.99 | J/mol×K | 1126.35 | Joback Calculated Property |
| Cp,gas | 1309.63 | J/mol×K | 1168.91 | Joback Calculated Property |
| Cp,gas | 1320.63 | J/mol×K | 1211.47 | Joback Calculated Property |
| Cp,gas | 1330.10 | J/mol×K | 1254.03 | Joback Calculated Property |
| Cp,gas | 1338.12 | J/mol×K | 1296.58 | Joback Calculated Property |
| Cp,gas | 1344.80 | J/mol×K | 1339.14 | Joback Calculated Property |
| Cp,gas | 1350.24 | J/mol×K | 1381.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester.
Sources
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