- InChI
- InChI=1S/C14H13F5O4/c1-2-22-8(20)4-3-5-9(21)23-6-7-10(15)12(17)14(19)13(18)11(7)16/h2-6H2,1H3
- InChI Key
- ZGTOBDXEPVNSDX-UHFFFAOYSA-N
- Formula
- C14H13F5O4
- SMILES
-
CCOC(=O)CCCC(=O)OCc1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 340.24
- 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° | -1310.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1623.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 3.159 | Crippen Calculated Property | |
| McVol | 208.090 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [1774.00; 1774.00] |
|
|
| Inp | 1774.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Tboil | 720.23 | K | Joback Calculated Property |
| Tc | 898.40 | K | Joback Calculated Property |
| Tfus | 483.83 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.44; 634.88] | J/mol×K | [720.23; 898.40] |
|
| Cp,gas | 575.44 | J/mol×K | 720.23 | Joback Calculated Property |
| Cp,gas | 586.93 | J/mol×K | 749.93 | Joback Calculated Property |
| Cp,gas | 597.79 | J/mol×K | 779.62 | Joback Calculated Property |
| Cp,gas | 608.03 | J/mol×K | 809.32 | Joback Calculated Property |
| Cp,gas | 617.63 | J/mol×K | 839.01 | Joback Calculated Property |
| Cp,gas | 626.58 | J/mol×K | 868.71 | Joback Calculated Property |
| Cp,gas | 634.88 | J/mol×K | 898.40 | Joback Calculated Property |
Similar Compounds
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Sources
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