- InChI
- InChI=1S/C18H24F2O4/c1-2-23-17(21)9-7-5-3-4-6-8-10-18(22)24-16-12-14(19)11-15(20)13-16/h11-13H,2-10H2,1H3
- InChI Key
- FLLPVFHWVUBYHE-UHFFFAOYSA-N
- Formula
- C18H24F2O4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1cc(F)c
c(F)c1 - Molecular Weight1
- 342.38
- 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° | -663.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1083.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 4.554 | Crippen Calculated Property | |
| McVol | 259.140 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 799.00 | K | Joback Calculated Property |
| Tc | 990.08 | K | Joback Calculated Property |
| Tfus | 489.58 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.61; 849.60] | J/mol×K | [799.00; 990.08] |
|
| Cp,gas | 775.61 | J/mol×K | 799.00 | Joback Calculated Property |
| Cp,gas | 790.29 | J/mol×K | 830.85 | Joback Calculated Property |
| Cp,gas | 804.01 | J/mol×K | 862.69 | Joback Calculated Property |
| Cp,gas | 816.79 | J/mol×K | 894.54 | Joback Calculated Property |
| Cp,gas | 828.64 | J/mol×K | 926.39 | Joback Calculated Property |
| Cp,gas | 839.57 | J/mol×K | 958.23 | Joback Calculated Property |
| Cp,gas | 849.60 | J/mol×K | 990.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl ethyl ester.
Sources
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