- InChI
- InChI=1S/C16H9F15O10/c1-3(38-8(33)13(20,21)22)5(40-10(35)15(26,27)28)6(41-11(36)16(29,30)31)4(39-9(34)14(23,24)25)2-37-7(32)12(17,18)19/h3-6H,2H2,1H3
- InChI Key
- NGTFCWJOYAUEKU-UHFFFAOYSA-N
- Formula
- C16H9F15O10
- SMILES
-
CC(OC(=O)C(F)(F)F)C(OC(=O)C(F)
(F)F)C(OC(=O)C(F)(F)F)C(COC(=O )C(F)(F)F)OC(=O)C(F)(F)F - Molecular Weight1
- 646.21
- 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 | 0.8780 | Relay (1.0) Calculated Property | |
| ΔfG° | -4003.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4700.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.008 | Crippen Calculated Property | |
| McVol | 300.050 | ml/mol | McGowan Calculated Property |
| Pc | 1059.64 | kPa | Joback Calculated Property |
| Inp | [1051.30; 1051.30] |
|
|
| Inp | 1051.30 | NIST | |
| Inp | 1051.30 | NIST | |
| Tboil | 507.49 | K | Relay (1.0) Calculated Property |
| Tc | 635.36 | K | Relay (1.0) Calculated Property |
| Tfus | 361.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.147 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.07; 1014.16] | J/mol×K | [918.07; 1135.26] |
|
| Cp,gas | 981.07 | J/mol×K | 918.07 | Joback Calculated Property |
| Cp,gas | 989.26 | J/mol×K | 954.27 | Joback Calculated Property |
| Cp,gas | 996.27 | J/mol×K | 990.47 | Joback Calculated Property |
| Cp,gas | 1002.18 | J/mol×K | 1026.66 | Joback Calculated Property |
| Cp,gas | 1007.07 | J/mol×K | 1062.86 | Joback Calculated Property |
| Cp,gas | 1011.04 | J/mol×K | 1099.06 | Joback Calculated Property |
| Cp,gas | 1014.16 | J/mol×K | 1135.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Fucitol, pentakis(trifluoroacetate).
Sources
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