- InChI
- InChI=1S/C19H18F2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
- InChI Key
- MBENIUYCDXYWPV-UHFFFAOYSA-N
- Formula
- C19H18F2O4
- SMILES
-
O=C(CCCC(=O)OCc1cccc(F)c1)OCc1
cccc(F)c1 - Molecular Weight1
- 348.34
- 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° | -542.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 249.470 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | [2470.00; 2470.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Tboil | 848.56 | K | Joback Calculated Property |
| Tc | 1062.01 | K | Joback Calculated Property |
| Tfus | 527.27 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [738.08; 799.48] | J/mol×K | [848.56; 1062.01] |
|
| Cp,gas | 738.08 | J/mol×K | 848.56 | Joback Calculated Property |
| Cp,gas | 751.06 | J/mol×K | 884.14 | Joback Calculated Property |
| Cp,gas | 762.90 | J/mol×K | 919.71 | Joback Calculated Property |
| Cp,gas | 773.64 | J/mol×K | 955.29 | Joback Calculated Property |
| Cp,gas | 783.29 | J/mol×K | 990.86 | Joback Calculated Property |
| Cp,gas | 791.90 | J/mol×K | 1026.44 | Joback Calculated Property |
| Cp,gas | 799.48 | J/mol×K | 1062.01 | Joback Calculated Property |
Similar Compounds
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Sources
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