- InChI
- InChI=1S/C16H11F5O2/c1-6-4-7(2)8(3)9(5-6)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h4-5H,1-3H3
- InChI Key
- NNNXKDNSNNQGRQ-UHFFFAOYSA-N
- Formula
- C16H11F5O2
- SMILES
-
Cc1cc(C)c(C)c(OC(=O)c2c(F)c(F)
c(F)c(F)c2F)c1 - Molecular Weight1
- 330.25
- 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° | -976.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1217.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 4.527 | Crippen Calculated Property | |
| McVol | 205.070 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [1769.20; 1775.50] |
|
|
| Inp | 1769.20 | NIST | |
| Inp | 1771.80 | NIST | |
| Inp | 1775.50 | NIST | |
| Inp | 1769.20 | NIST | |
| Tboil | 731.32 | K | Joback Calculated Property |
| Tc | 928.38 | K | Joback Calculated Property |
| Tfus | 498.19 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.91; 610.69] | J/mol×K | [731.32; 928.38] |
|
| Cp,gas | 549.91 | J/mol×K | 731.32 | Joback Calculated Property |
| Cp,gas | 561.85 | J/mol×K | 764.16 | Joback Calculated Property |
| Cp,gas | 573.08 | J/mol×K | 797.01 | Joback Calculated Property |
| Cp,gas | 583.57 | J/mol×K | 829.85 | Joback Calculated Property |
| Cp,gas | 593.34 | J/mol×K | 862.69 | Joback Calculated Property |
| Cp,gas | 602.38 | J/mol×K | 895.54 | Joback Calculated Property |
| Cp,gas | 610.69 | J/mol×K | 928.38 | Joback Calculated Property |
Similar Compounds
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Sources
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