- InChI
- InChI=1S/C19H26F2O4/c1-2-11-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-13-15(20)12-16(21)14-17/h12-14H,2-11H2,1H3
- InChI Key
- NJGRPXNFAXAGMI-UHFFFAOYSA-N
- Formula
- C19H26F2O4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1cc(F)
cc(F)c1 - Molecular Weight1
- 356.40
- 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° | -655.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1103.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 4.944 | Crippen Calculated Property | |
| McVol | 273.230 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [2345.00; 2345.00] |
|
|
| Inp | 2345.00 | NIST | |
| Inp | 2345.00 | NIST | |
| Tboil | 821.88 | K | Joback Calculated Property |
| Tc | 1014.18 | K | Joback Calculated Property |
| Tfus | 500.85 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.28; 908.49] | J/mol×K | [821.88; 1014.18] |
|
| Cp,gas | 833.28 | J/mol×K | 821.88 | Joback Calculated Property |
| Cp,gas | 848.29 | J/mol×K | 853.93 | Joback Calculated Property |
| Cp,gas | 862.28 | J/mol×K | 885.98 | Joback Calculated Property |
| Cp,gas | 875.29 | J/mol×K | 918.03 | Joback Calculated Property |
| Cp,gas | 887.31 | J/mol×K | 950.08 | Joback Calculated Property |
| Cp,gas | 898.37 | J/mol×K | 982.13 | Joback Calculated Property |
| Cp,gas | 908.49 | J/mol×K | 1014.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl propyl ester.
Sources
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