- InChI
- InChI=1S/C26H40BrFO4/c1-2-3-4-5-6-9-12-15-20-31-25(29)16-13-10-7-8-11-14-17-26(30)32-24-19-18-22(28)21-23(24)27/h18-19,21H,2-17,20H2,1H3
- InChI Key
- XBMTWJKHTFAEFR-UHFFFAOYSA-N
- Formula
- C26H40BrFO4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
c1ccc(F)cc1Br - Molecular Weight1
- 515.50
- 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° | -387.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.00 | kJ/mol | Joback Calculated Property |
| log10WS | -9.68 | Crippen Calculated Property | |
| logPoct/wat | 8.298 | Crippen Calculated Property | |
| McVol | 387.590 | ml/mol | McGowan Calculated Property |
| Pc | 919.95 | kPa | Joback Calculated Property |
| Inp | 3411.00 | NIST | |
| Tboil | 1048.93 | K | Joback Calculated Property |
| Tc | 1288.85 | K | Joback Calculated Property |
| Tfus | 638.95 | K | Joback Calculated Property |
| Vc | 1.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1288.90; 1360.64] | J/mol×K | [1048.93; 1288.85] | 
|
| Cp,gas | 1288.90 | J/mol×K | 1048.93 | Joback Calculated Property |
| Cp,gas | 1304.69 | J/mol×K | 1088.92 | Joback Calculated Property |
| Cp,gas | 1318.85 | J/mol×K | 1128.90 | Joback Calculated Property |
| Cp,gas | 1331.45 | J/mol×K | 1168.89 | Joback Calculated Property |
| Cp,gas | 1342.57 | J/mol×K | 1208.88 | Joback Calculated Property |
| Cp,gas | 1352.28 | J/mol×K | 1248.87 | Joback Calculated Property |
| Cp,gas | 1360.64 | J/mol×K | 1288.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl decyl ester.
Sources
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