- InChI
- InChI=1S/C13H8F16O4/c14-6(15)10(22,23)12(26,27)8(18,19)2-32-4(30)1-5(31)33-3-9(20,21)13(28,29)11(24,25)7(16)17/h6-7H,1-3H2
- InChI Key
- DHLQIUYEPAFTHY-UHFFFAOYSA-N
- Formula
- C13H8F16O4
- SMILES
-
O=C(CC(=O)OCC(F)(F)C(F)(F)C(F)
(F)C(F)F)OCC(F)(F)C(F)(F)C(F)( F)C(F)F - Molecular Weight1
- 532.17
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8193 | Relay (1.0) Calculated Property | |
| ΔfG° | -3514.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4001.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.805 | Crippen Calculated Property | |
| McVol | 237.230 | ml/mol | McGowan Calculated Property |
| Pc | 1138.27 | kPa | Joback Calculated Property |
| Inp | [1292.00; 1292.00] |
|
|
| Inp | 1292.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Tboil | 525.32 | K | Relay (1.0) Calculated Property |
| Tc | 668.32 | K | Relay (1.0) Calculated Property |
| Tfus | 326.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.26; 772.66] | J/mol×K | [617.48; 759.97] |
|
| Cp,gas | 715.26 | J/mol×K | 617.48 | Joback Calculated Property |
| Cp,gas | 726.64 | J/mol×K | 641.23 | Joback Calculated Property |
| Cp,gas | 737.24 | J/mol×K | 664.98 | Joback Calculated Property |
| Cp,gas | 747.09 | J/mol×K | 688.73 | Joback Calculated Property |
| Cp,gas | 756.25 | J/mol×K | 712.48 | Joback Calculated Property |
| Cp,gas | 764.76 | J/mol×K | 736.22 | Joback Calculated Property |
| Cp,gas | 772.66 | J/mol×K | 759.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester.
Sources
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