- InChI
- InChI=1S/C28H44BrFO4/c1-2-3-4-5-6-7-8-11-14-17-22-33-27(31)18-15-12-9-10-13-16-19-28(32)34-26-21-20-24(30)23-25(26)29/h20-21,23H,2-19,22H2,1H3
- InChI Key
- YOAILTRUFCRJBY-UHFFFAOYSA-N
- Formula
- C28H44BrFO4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)Oc1ccc(F)cc1Br - Molecular Weight1
- 543.55
- 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° | -370.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1067.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.45 | kJ/mol | Joback Calculated Property |
| log10WS | -10.51 | Crippen Calculated Property | |
| logPoct/wat | 9.079 | Crippen Calculated Property | |
| McVol | 415.770 | ml/mol | McGowan Calculated Property |
| Pc | 821.48 | kPa | Joback Calculated Property |
| Inp | [3618.00; 3618.00] |
|
|
| Inp | 3618.00 | NIST | |
| Inp | 3618.00 | NIST | |
| Tboil | 1094.69 | K | Joback Calculated Property |
| Tc | 1354.30 | K | Joback Calculated Property |
| Tfus | 661.49 | K | Joback Calculated Property |
| Vc | 1.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1413.85; 1486.69] | J/mol×K | [1094.69; 1354.30] |
|
| Cp,gas | 1413.85 | J/mol×K | 1094.69 | Joback Calculated Property |
| Cp,gas | 1430.41 | J/mol×K | 1137.96 | Joback Calculated Property |
| Cp,gas | 1445.07 | J/mol×K | 1181.23 | Joback Calculated Property |
| Cp,gas | 1457.93 | J/mol×K | 1224.50 | Joback Calculated Property |
| Cp,gas | 1469.08 | J/mol×K | 1267.76 | Joback Calculated Property |
| Cp,gas | 1478.64 | J/mol×K | 1311.03 | Joback Calculated Property |
| Cp,gas | 1486.69 | J/mol×K | 1354.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl dodecyl ester.
Sources
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