- InChI
- InChI=1S/C27H42BrFO4/c1-2-3-4-5-6-7-10-13-16-21-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-20-19-23(29)22-24(25)28/h19-20,22H,2-18,21H2,1H3
- InChI Key
- GWRVCOQOLBRVBQ-UHFFFAOYSA-N
- Formula
- C27H42BrFO4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
Oc1ccc(F)cc1Br - Molecular Weight1
- 529.52
- 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).
- 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° | -378.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1046.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.23 | kJ/mol | Joback Calculated Property |
| log10WS | -10.10 | Crippen Calculated Property | |
| logPoct/wat | 8.688 | Crippen Calculated Property | |
| McVol | 401.680 | ml/mol | McGowan Calculated Property |
| Pc | 868.62 | kPa | Joback Calculated Property |
| Inp | [3500.00; 3500.00] |
|
|
| Inp | 3500.00 | NIST | |
| Inp | 3500.00 | NIST | |
| Tboil | 1071.81 | K | Joback Calculated Property |
| Tc | 1320.88 | K | Joback Calculated Property |
| Tfus | 650.22 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.21; 1423.51] | J/mol×K | [1071.81; 1320.88] |
|
| Cp,gas | 1351.21 | J/mol×K | 1071.81 | Joback Calculated Property |
| Cp,gas | 1367.37 | J/mol×K | 1113.32 | Joback Calculated Property |
| Cp,gas | 1381.77 | J/mol×K | 1154.83 | Joback Calculated Property |
| Cp,gas | 1394.50 | J/mol×K | 1196.35 | Joback Calculated Property |
| Cp,gas | 1405.65 | J/mol×K | 1237.86 | Joback Calculated Property |
| Cp,gas | 1415.29 | J/mol×K | 1279.37 | Joback Calculated Property |
| Cp,gas | 1423.51 | J/mol×K | 1320.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester.
Sources
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