- InChI
- InChI=1S/C15H11F15O6/c1-2-9(3-34-6(31)10(16,17)13(22,23)24,4-35-7(32)11(18,19)14(25,26)27)5-36-8(33)12(20,21)15(28,29)30/h2-5H2,1H3
- InChI Key
- HBURXPQVCDTQEW-UHFFFAOYSA-N
- Formula
- C15H11F15O6
- SMILES
-
CCC(COC(=O)C(F)(F)C(F)(F)F)(CO
C(=O)C(F)(F)C(F)(F)F)COC(=O)C( F)(F)C(F)(F)F - Molecular Weight1
- 572.22
- 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 | 0.8505 | Relay (1.0) Calculated Property | |
| ΔfG° | -3528.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4230.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| McVol | 271.080 | ml/mol | McGowan Calculated Property |
| Pc | 1066.57 | kPa | Joback Calculated Property |
| Inp | 1117.00 | NIST | |
| Tboil | 502.61 | K | Relay (1.0) Calculated Property |
| Tc | 615.22 | K | Relay (1.0) Calculated Property |
| Tfus | 345.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.050 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.72; 910.93] | J/mol×K | [737.91; 903.66] | 
|
| Cp,gas | 858.72 | J/mol×K | 737.91 | Joback Calculated Property |
| Cp,gas | 869.32 | J/mol×K | 765.53 | Joback Calculated Property |
| Cp,gas | 879.06 | J/mol×K | 793.16 | Joback Calculated Property |
| Cp,gas | 888.02 | J/mol×K | 820.78 | Joback Calculated Property |
| Cp,gas | 896.27 | J/mol×K | 848.41 | Joback Calculated Property |
| Cp,gas | 903.89 | J/mol×K | 876.03 | Joback Calculated Property |
| Cp,gas | 910.93 | J/mol×K | 903.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Tris(hydroxymethyl)propane, tri(pentafluoropropionate).
Sources
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