- InChI
- InChI=1S/C18H16F2O4/c19-15-5-1-3-13(9-15)11-23-17(21)7-8-18(22)24-12-14-4-2-6-16(20)10-14/h1-6,9-10H,7-8,11-12H2
- InChI Key
- APENLMGYYKZZEB-UHFFFAOYSA-N
- Formula
- C18H16F2O4
- SMILES
-
O=C(CCC(=O)OCc1cccc(F)c1)OCc1c
ccc(F)c1 - Molecular Weight1
- 334.31
- 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° | -551.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 3.532 | Crippen Calculated Property | |
| McVol | 235.380 | ml/mol | McGowan Calculated Property |
| Pc | 1870.79 | kPa | Joback Calculated Property |
| Inp | [2275.00; 2275.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Tboil | 825.68 | K | Joback Calculated Property |
| Tc | 1040.41 | K | Joback Calculated Property |
| Tfus | 516.00 | K | Joback Calculated Property |
| Vc | 0.911 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.99; 742.55] | J/mol×K | [825.68; 1040.41] |
|
| Cp,gas | 681.99 | J/mol×K | 825.68 | Joback Calculated Property |
| Cp,gas | 694.76 | J/mol×K | 861.47 | Joback Calculated Property |
| Cp,gas | 706.42 | J/mol×K | 897.26 | Joback Calculated Property |
| Cp,gas | 717.01 | J/mol×K | 933.04 | Joback Calculated Property |
| Cp,gas | 726.55 | J/mol×K | 968.83 | Joback Calculated Property |
| Cp,gas | 735.06 | J/mol×K | 1004.62 | Joback Calculated Property |
| Cp,gas | 742.55 | J/mol×K | 1040.41 | Joback Calculated Property |
Similar Compounds
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Sources
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