- InChI
- InChI=1S/C18H25FO4/c1-2-22-17(20)12-7-5-3-4-6-8-13-18(21)23-16-11-9-10-15(19)14-16/h9-11,14H,2-8,12-13H2,1H3
- InChI Key
- SEAGTRPSYFOFOG-UHFFFAOYSA-N
- Formula
- C18H25FO4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1cccc(F
)c1 - Molecular Weight1
- 324.39
- 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° | -459.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.415 | Crippen Calculated Property | |
| McVol | 257.370 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 794.75 | K | Joback Calculated Property |
| Tc | 989.35 | K | Joback Calculated Property |
| Tfus | 476.47 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.80; 845.31] | J/mol×K | [794.75; 989.35] |
|
| Cp,gas | 768.80 | J/mol×K | 794.75 | Joback Calculated Property |
| Cp,gas | 783.99 | J/mol×K | 827.18 | Joback Calculated Property |
| Cp,gas | 798.18 | J/mol×K | 859.62 | Joback Calculated Property |
| Cp,gas | 811.39 | J/mol×K | 892.05 | Joback Calculated Property |
| Cp,gas | 823.64 | J/mol×K | 924.48 | Joback Calculated Property |
| Cp,gas | 834.94 | J/mol×K | 956.92 | Joback Calculated Property |
| Cp,gas | 845.31 | J/mol×K | 989.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl 3-fluorophenyl ester.
Sources
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