- InChI
- InChI=1S/C16H24F6O4/c1-4-5-6-7-8-9-25-12(23)14(2,3)13(24)26-10-15(18,19)11(17)16(20,21)22/h11H,4-10H2,1-3H3
- InChI Key
- FSIAYMRFHHQRRY-UHFFFAOYSA-N
- Formula
- C16H24F6O4
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)OCC(F
)(F)C(F)C(F)(F)F - Molecular Weight1
- 394.35
- 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 | 0.8066 | Relay (1.0) Calculated Property | |
| ΔfG° | -1546.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2228.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| McVol | 261.800 | ml/mol | McGowan Calculated Property |
| Pc | 1216.59 | kPa | Joback Calculated Property |
| Inp | 1534.00 | NIST | |
| Tboil | 529.93 | K | Relay (1.0) Calculated Property |
| Tc | 682.33 | K | Relay (1.0) Calculated Property |
| Tfus | 252.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.990 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.30; 864.33] | J/mol×K | [703.55; 871.01] | 
|
| Cp,gas | 787.30 | J/mol×K | 703.55 | Joback Calculated Property |
| Cp,gas | 802.13 | J/mol×K | 731.46 | Joback Calculated Property |
| Cp,gas | 816.11 | J/mol×K | 759.37 | Joback Calculated Property |
| Cp,gas | 829.29 | J/mol×K | 787.28 | Joback Calculated Property |
| Cp,gas | 841.69 | J/mol×K | 815.19 | Joback Calculated Property |
| Cp,gas | 853.35 | J/mol×K | 843.10 | Joback Calculated Property |
| Cp,gas | 864.33 | J/mol×K | 871.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester.
Sources
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