- InChI
- InChI=1S/C15H21F7O4/c1-4-5-10(9(2)3)26-12(24)7-6-11(23)25-8-13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3
- InChI Key
- IAWYKDRFTPIBSU-UHFFFAOYSA-N
- Formula
- C15H21F7O4
- SMILES
-
CCCC(OC(=O)CCC(=O)OCC(F)(F)C(F
)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 398.31
- 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 | 0.7796 | Relay (1.0) Calculated Property | |
| ΔfG° | -1752.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2404.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.511 | Crippen Calculated Property | |
| McVol | 249.480 | ml/mol | McGowan Calculated Property |
| Pc | 1268.25 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1461.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Tboil | 522.47 | K | Relay (1.0) Calculated Property |
| Tc | 631.49 | K | Relay (1.0) Calculated Property |
| Tfus | 243.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.54; 814.27] | J/mol×K | [679.50; 843.39] |
|
| Cp,gas | 740.54 | J/mol×K | 679.50 | Joback Calculated Property |
| Cp,gas | 754.75 | J/mol×K | 706.82 | Joback Calculated Property |
| Cp,gas | 768.14 | J/mol×K | 734.13 | Joback Calculated Property |
| Cp,gas | 780.75 | J/mol×K | 761.45 | Joback Calculated Property |
| Cp,gas | 792.62 | J/mol×K | 788.76 | Joback Calculated Property |
| Cp,gas | 803.78 | J/mol×K | 816.08 | Joback Calculated Property |
| Cp,gas | 814.27 | J/mol×K | 843.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,4-heptafluorobutyl 2-methylhex-3-yl ester.
Sources
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