- InChI
- InChI=1S/C22H24F2O4/c23-17-9-7-11-19(15-17)27-21(25)13-5-3-1-2-4-6-14-22(26)28-20-12-8-10-18(24)16-20/h7-12,15-16H,1-6,13-14H2
- InChI Key
- QJRKVPXBVFMDCV-UHFFFAOYSA-N
- Formula
- C22H24F2O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1cccc(F)c1)
Oc1cccc(F)c1 - Molecular Weight1
- 390.42
- 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° | -517.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.597 | Crippen Calculated Property | |
| McVol | 291.740 | ml/mol | McGowan Calculated Property |
| Pc | 1375.82 | kPa | Joback Calculated Property |
| Inp | [2812.00; 2812.00] |
|
|
| Inp | 2812.00 | NIST | |
| Inp | 2812.00 | NIST | |
| Tboil | 917.20 | K | Joback Calculated Property |
| Tc | 1131.06 | K | Joback Calculated Property |
| Tfus | 561.08 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.03; 973.88] | J/mol×K | [917.20; 1131.06] |
|
| Cp,gas | 911.03 | J/mol×K | 917.20 | Joback Calculated Property |
| Cp,gas | 924.48 | J/mol×K | 952.84 | Joback Calculated Property |
| Cp,gas | 936.69 | J/mol×K | 988.49 | Joback Calculated Property |
| Cp,gas | 947.70 | J/mol×K | 1024.13 | Joback Calculated Property |
| Cp,gas | 957.54 | J/mol×K | 1059.77 | Joback Calculated Property |
| Cp,gas | 966.26 | J/mol×K | 1095.41 | Joback Calculated Property |
| Cp,gas | 973.88 | J/mol×K | 1131.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(3-fluorophenyl) ester.
Sources
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