- InChI
- InChI=1S/C18H11F21O6/c1-2-9(3-43-6(40)10(19,20)13(25,26)16(31,32)33,4-44-7(41)11(21,22)14(27,28)17(34,35)36)5-45-8(42)12(23,24)15(29,30)18(37,38)39/h2-5H2,1H3
- InChI Key
- IDAYENACLZKAEB-UHFFFAOYSA-N
- Formula
- C18H11F21O6
- SMILES
-
CCC(COC(=O)C(F)(F)C(F)(F)C(F)(
F)F)(COC(=O)C(F)(F)C(F)(F)C(F) (F)F)COC(=O)C(F)(F)C(F)(F)C(F) (F)F - Molecular Weight1
- 722.24
- 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 | 0.9613 | Relay (1.0) Calculated Property | |
| ΔfG° | -4663.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5456.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.511 | Crippen Calculated Property | |
| McVol | 323.970 | ml/mol | McGowan Calculated Property |
| Pc | 787.71 | kPa | Joback Calculated Property |
| Inp | [1194.00; 1194.00] |
|
|
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Tboil | 542.06 | K | Relay (1.0) Calculated Property |
| Tc | 632.33 | K | Relay (1.0) Calculated Property |
| Tfus | 371.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.283 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.14; 1128.12] | J/mol×K | [792.48; 976.36] |
|
| Cp,gas | 1074.14 | J/mol×K | 792.48 | Joback Calculated Property |
| Cp,gas | 1085.16 | J/mol×K | 823.13 | Joback Calculated Property |
| Cp,gas | 1095.18 | J/mol×K | 853.77 | Joback Calculated Property |
| Cp,gas | 1104.33 | J/mol×K | 884.42 | Joback Calculated Property |
| Cp,gas | 1112.78 | J/mol×K | 915.07 | Joback Calculated Property |
| Cp,gas | 1120.66 | J/mol×K | 945.72 | Joback Calculated Property |
| Cp,gas | 1128.12 | J/mol×K | 976.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Tris(hydroxymethyl)propane, tri(heptafluorobutyrate).
Sources
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