- InChI
- InChI=1S/C17H11F15O10/c1-37-7(33)5-3(40-9(34)12(18,19)15(24,25)26)4(41-10(35)13(20,21)16(27,28)29)6(8(38-2)39-5)42-11(36)14(22,23)17(30,31)32/h3-6,8H,1-2H3
- InChI Key
- VIHBWXQWOPROMY-UHFFFAOYSA-N
- Formula
- C17H11F15O10
- SMILES
-
COC(=O)C1OC(OC)C(OC(=O)C(F)(F)
C(F)(F)F)C(OC(=O)C(F)(F)C(F)(F )F)C1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 660.24
- 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 | 0.8372 | Relay (... Calculated Property | |
| ΔfG° | -3946.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4818.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 57.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.05 | kJ/mol | Relay (... Calculated Property |
| IE | 11.04 | eV | Relay (... Calculated Property |
| log10WS | -6.92 | Relay (... Calculated Property | |
| logPoct/wat | 2.859 | Crippen Calculated Property | |
| McVol | 307.580 | ml/mol | McGowan Calculated Property |
| Pc | 988.88 | kPa | Joback Calculated Property |
| Inp | [1357.00; 1357.00] |
|
|
| Inp | 1357.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Tboil | 554.57 | K | Relay (... Calculated Property |
| Tc | 700.89 | K | Relay (... Calculated Property |
| Tfus | 369.78 | K | Relay (... Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.32; 1108.27] | J/mol×K | [913.43; 1123.11] |
|
| Cp,gas | 1069.32 | J/mol×K | 913.43 | Joback Calculated Property |
| Cp,gas | 1079.14 | J/mol×K | 948.38 | Joback Calculated Property |
| Cp,gas | 1087.53 | J/mol×K | 983.32 | Joback Calculated Property |
| Cp,gas | 1094.56 | J/mol×K | 1018.27 | Joback Calculated Property |
| Cp,gas | 1100.32 | J/mol×K | 1053.22 | Joback Calculated Property |
| Cp,gas | 1104.86 | J/mol×K | 1088.17 | Joback Calculated Property |
| Cp,gas | 1108.27 | J/mol×K | 1123.11 | Joback Calculated Property |
Similar Compounds
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Sources
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