- InChI
- InChI=1S/C8H9F7O4/c9-6(10,7(11,12)8(13,14)15)5(18)19-2-1-4(17)3-16/h4,16-17H,1-3H2
- InChI Key
- YPWNLKMJLQCLLR-UHFFFAOYSA-N
- Formula
- C8H9F7O4
- SMILES
-
O=C(OCCC(O)CO)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 302.14
- 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 | 0.8562 | Relay (... Calculated Property | |
| ΔfG° | -1848.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2241.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.19 | kJ/mol | Relay (... Calculated Property |
| IE | 10.91 | eV | Relay (... Calculated Property |
| log10WS | -2.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.106 | Crippen Calculated Property | |
| McVol | 155.150 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1066.00; 1066.00] |
|
|
| Inp | 1066.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Tboil | 487.39 | K | Relay (... Calculated Property |
| Tc | 627.49 | K | Relay (... Calculated Property |
| Tfus | 301.28 | K | Relay (... Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.20; 493.50] | J/mol×K | [627.85; 779.93] |
|
| Cp,gas | 452.20 | J/mol×K | 627.85 | Joback Calculated Property |
| Cp,gas | 460.27 | J/mol×K | 653.20 | Joback Calculated Property |
| Cp,gas | 467.83 | J/mol×K | 678.54 | Joback Calculated Property |
| Cp,gas | 474.90 | J/mol×K | 703.89 | Joback Calculated Property |
| Cp,gas | 481.52 | J/mol×K | 729.23 | Joback Calculated Property |
| Cp,gas | 487.71 | J/mol×K | 754.58 | Joback Calculated Property |
| Cp,gas | 493.50 | J/mol×K | 779.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate.
Sources
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