- InChI
- InChI=1S/C20H28BrFO4/c1-2-3-14-25-19(23)10-8-6-4-5-7-9-11-20(24)26-18-13-12-16(22)15-17(18)21/h12-13,15H,2-11,14H2,1H3
- InChI Key
- LDMZQYFZLNFBKO-UHFFFAOYSA-N
- Formula
- C20H28BrFO4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(
F)cc1Br - Molecular Weight1
- 431.34
- 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° | -437.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 5.958 | Crippen Calculated Property | |
| McVol | 303.050 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | [2752.00; 2752.00] |
|
|
| Inp | 2752.00 | NIST | |
| Inp | 2752.00 | NIST | |
| Tboil | 911.65 | K | Joback Calculated Property |
| Tc | 1120.89 | K | Joback Calculated Property |
| Tfus | 571.33 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.33; 992.22] | J/mol×K | [911.65; 1120.89] |
|
| Cp,gas | 924.33 | J/mol×K | 911.65 | Joback Calculated Property |
| Cp,gas | 938.37 | J/mol×K | 946.52 | Joback Calculated Property |
| Cp,gas | 951.28 | J/mol×K | 981.40 | Joback Calculated Property |
| Cp,gas | 963.10 | J/mol×K | 1016.27 | Joback Calculated Property |
| Cp,gas | 973.84 | J/mol×K | 1051.14 | Joback Calculated Property |
| Cp,gas | 983.54 | J/mol×K | 1086.02 | Joback Calculated Property |
| Cp,gas | 992.22 | J/mol×K | 1120.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl butyl ester.
Sources
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