- InChI
- InChI=1S/C15H15F5O4/c1-2-6-23-9(21)4-3-5-10(22)24-7-8-11(16)13(18)15(20)14(19)12(8)17/h2-7H2,1H3
- InChI Key
- XEYOFORLHXVGAL-UHFFFAOYSA-N
- Formula
- C15H15F5O4
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1c(F)c(F)c
(F)c(F)c1F - Molecular Weight1
- 354.27
- 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° | -1302.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1643.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 3.549 | Crippen Calculated Property | |
| McVol | 222.180 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | [1866.00; 1866.00] |
|
|
| Inp | 1866.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Tboil | 743.11 | K | Joback Calculated Property |
| Tc | 922.01 | K | Joback Calculated Property |
| Tfus | 495.10 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.88; 690.77] | J/mol×K | [743.11; 922.01] |
|
| Cp,gas | 628.88 | J/mol×K | 743.11 | Joback Calculated Property |
| Cp,gas | 640.91 | J/mol×K | 772.93 | Joback Calculated Property |
| Cp,gas | 652.27 | J/mol×K | 802.74 | Joback Calculated Property |
| Cp,gas | 662.94 | J/mol×K | 832.56 | Joback Calculated Property |
| Cp,gas | 672.92 | J/mol×K | 862.38 | Joback Calculated Property |
| Cp,gas | 682.20 | J/mol×K | 892.19 | Joback Calculated Property |
| Cp,gas | 690.77 | J/mol×K | 922.01 | Joback Calculated Property |
Similar Compounds
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Sources
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