- InChI
- InChI=1S/C18H13F15O10/c1-3(2)39-9-7(43-12(38)15(23,24)18(31,32)33)5(42-11(37)14(21,22)17(28,29)30)4(6(40-9)8(34)35)41-10(36)13(19,20)16(25,26)27/h3-7,9H,1-2H3,(H,34,35)
- InChI Key
- WTCDUYAGQJUNJB-UHFFFAOYSA-N
- Formula
- C18H13F15O10
- SMILES
-
CC(C)OC1OC(C(=O)O)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
- 674.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -3971.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4704.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 3.549 | Crippen Calculated Property | |
| McVol | 321.670 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Tboil | 1005.63 | K | Joback Calculated Property |
| Tc | 1258.38 | K | Joback Calculated Property |
| Tfus | 667.44 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1144.63; 1174.91] | J/mol×K | [1005.63; 1258.38] |
|
| Cp,gas | 1144.63 | J/mol×K | 1005.63 | Joback Calculated Property |
| Cp,gas | 1153.21 | J/mol×K | 1047.76 | Joback Calculated Property |
| Cp,gas | 1160.17 | J/mol×K | 1089.88 | Joback Calculated Property |
| Cp,gas | 1165.65 | J/mol×K | 1132.01 | Joback Calculated Property |
| Cp,gas | 1169.83 | J/mol×K | 1174.13 | Joback Calculated Property |
| Cp,gas | 1172.86 | J/mol×K | 1216.26 | Joback Calculated Property |
| Cp,gas | 1174.91 | J/mol×K | 1258.38 | Joback Calculated Property |
Similar Compounds
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Sources
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