- InChI
- InChI=1S/C17H9F15O11/c1-38-2-3(39-8(33)13(18,19)20)5(41-10(35)15(24,25)26)7(43-12(37)17(30,31)32)6(42-11(36)16(27,28)29)4(2)40-9(34)14(21,22)23/h2-7H,1H3
- InChI Key
- YUVUJOCAYPIZBU-UHFFFAOYSA-N
- Formula
- C17H9F15O11
- SMILES
-
COC1C(OC(=O)C(F)(F)F)C(OC(=O)C
(F)(F)F)C(OC(=O)C(F)(F)F)C(OC( =O)C(F)(F)F)C1OC(=O)C(F)(F)F - Molecular Weight1
- 674.22
- 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 | 0.8312 | Relay (1.0) Calculated Property | |
| ΔfG° | -4104.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4830.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 309.150 | ml/mol | McGowan Calculated Property |
| Pc | 990.75 | kPa | Joback Calculated Property |
| Inp | 1054.80 | NIST | |
| Tboil | 534.01 | K | Relay (1.0) Calculated Property |
| Tc | 692.43 | K | Relay (1.0) Calculated Property |
| Tfus | 383.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1076.21; 1097.01] | J/mol×K | [961.33; 1190.26] | 
|
| Cp,gas | 1076.21 | J/mol×K | 961.33 | Joback Calculated Property |
| Cp,gas | 1084.15 | J/mol×K | 999.48 | Joback Calculated Property |
| Cp,gas | 1090.15 | J/mol×K | 1037.64 | Joback Calculated Property |
| Cp,gas | 1094.27 | J/mol×K | 1075.79 | Joback Calculated Property |
| Cp,gas | 1096.54 | J/mol×K | 1113.95 | Joback Calculated Property |
| Cp,gas | 1097.01 | J/mol×K | 1152.10 | Joback Calculated Property |
| Cp,gas | 1095.73 | J/mol×K | 1190.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Pinitol, pentakis(trifluoroacetate).
Sources
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