- InChI
- InChI=1S/C13H14F8O4/c1-2-3-6-24-8(22)4-5-9(23)25-7-11(16,17)13(20,21)12(18,19)10(14)15/h4-5,10H,2-3,6-7H2,1H3/b5-4+
- InChI Key
- KVOBWNUTDXYASP-SNAWJCMRSA-N
- Formula
- C13H14F8O4
- SMILES
-
CCCCOC(=O)C=CC(=O)OCC(F)(F)C(F
)(F)C(F)(F)C(F)F - Molecular Weight1
- 386.24
- 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° | -1881.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2284.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.600 | Crippen Calculated Property | |
| McVol | 218.770 | ml/mol | McGowan Calculated Property |
| Pc | 1460.13 | kPa | Joback Calculated Property |
| Inp | 1496.00 | NIST | |
| Tboil | 637.61 | K | Joback Calculated Property |
| Tc | 797.65 | K | Joback Calculated Property |
| Tfus | 372.49 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.32; 683.40] | J/mol×K | [637.61; 797.65] | 
|
| Cp,gas | 620.32 | J/mol×K | 637.61 | Joback Calculated Property |
| Cp,gas | 632.54 | J/mol×K | 664.28 | Joback Calculated Property |
| Cp,gas | 644.02 | J/mol×K | 690.96 | Joback Calculated Property |
| Cp,gas | 654.82 | J/mol×K | 717.63 | Joback Calculated Property |
| Cp,gas | 664.95 | J/mol×K | 744.31 | Joback Calculated Property |
| Cp,gas | 674.47 | J/mol×K | 770.98 | Joback Calculated Property |
| Cp,gas | 683.40 | J/mol×K | 797.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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