- InChI
- InChI=1S/C16H19F5O6/c1-23-2-3-24-4-5-25-6-7-26-8-9-27-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-9H2,1H3
- InChI Key
- SIBNAOBOEUIEEN-UHFFFAOYSA-N
- Formula
- C16H19F5O6
- SMILES
-
COCCOCCOCCOCCOC(=O)c1c(F)c(F)c
(F)c(F)c1F - Molecular Weight1
- 402.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1479.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1948.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.235 | Crippen Calculated Property | |
| McVol | 252.310 | ml/mol | McGowan Calculated Property |
| Pc | 1327.14 | kPa | Joback Calculated Property |
| Inp | 2064.00 | NIST | |
| Tboil | 779.38 | K | Joback Calculated Property |
| Tc | 957.59 | K | Joback Calculated Property |
| Tfus | 523.13 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.71; 816.89] | J/mol×K | [779.38; 957.59] | 
|
| Cp,gas | 749.71 | J/mol×K | 779.38 | Joback Calculated Property |
| Cp,gas | 763.09 | J/mol×K | 809.08 | Joback Calculated Property |
| Cp,gas | 775.64 | J/mol×K | 838.78 | Joback Calculated Property |
| Cp,gas | 787.32 | J/mol×K | 868.48 | Joback Calculated Property |
| Cp,gas | 798.11 | J/mol×K | 898.18 | Joback Calculated Property |
| Cp,gas | 807.97 | J/mol×K | 927.88 | Joback Calculated Property |
| Cp,gas | 816.89 | J/mol×K | 957.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5,8,11-Tetraoxatridecan-13-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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