- InChI
- InChI=1S/C15H6F14O4/c16-10(17,12(20,21)14(24,25)26)8(30)32-5-6-1-3-7(4-2-6)33-9(31)11(18,19)13(22,23)15(27,28)29/h1-4H,5H2
- InChI Key
- FGALMUVNHSMOSX-UHFFFAOYSA-N
- Formula
- C15H6F14O4
- SMILES
-
O=C(OCc1ccc(OC(=O)C(F)(F)C(F)(
F)C(F)(F)F)cc1)C(F)(F)C(F)(F)C (F)(F)F - Molecular Weight1
- 516.18
- 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 | 0.7823 | Relay (1.0) Calculated Property | |
| ΔfG° | -2999.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3530.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.301 | Crippen Calculated Property | |
| McVol | 238.110 | ml/mol | McGowan Calculated Property |
| Pc | 1307.06 | kPa | Joback Calculated Property |
| Inp | [1287.00; 1287.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Tboil | 520.93 | K | Relay (1.0) Calculated Property |
| Tc | 683.47 | K | Relay (1.0) Calculated Property |
| Tfus | 312.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.91; 768.78] | J/mol×K | [697.24; 863.56] |
|
| Cp,gas | 719.91 | J/mol×K | 697.24 | Joback Calculated Property |
| Cp,gas | 729.98 | J/mol×K | 724.96 | Joback Calculated Property |
| Cp,gas | 739.18 | J/mol×K | 752.68 | Joback Calculated Property |
| Cp,gas | 747.59 | J/mol×K | 780.40 | Joback Calculated Property |
| Cp,gas | 755.28 | J/mol×K | 808.12 | Joback Calculated Property |
| Cp,gas | 762.32 | J/mol×K | 835.84 | Joback Calculated Property |
| Cp,gas | 768.78 | J/mol×K | 863.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxybenzyl alcohol, bis(heptafluorobutyrate).
Sources
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