- InChI
- InChI=1S/C19H17F5O2/c1-9(19(2,3)4)10-5-7-11(8-6-10)26-18(25)12-13(20)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
- InChI Key
- RQUVJBSGNOEDPS-UHFFFAOYSA-N
- Formula
- C19H17F5O2
- SMILES
-
CC(c1ccc(OC(=O)c2c(F)c(F)c(F)c
(F)c2F)cc1)C(C)(C)C - Molecular Weight1
- 372.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7459 | Relay (1.0) Calculated Property | |
| ΔfG° | -931.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1080.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.751 | Crippen Calculated Property | |
| McVol | 247.340 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | [2006.10; 2018.70] |
|
|
| Inp | 2006.10 | NIST | |
| Inp | 2011.90 | NIST | |
| Inp | 2018.70 | NIST | |
| Inp | 2006.10 | NIST | |
| Tboil | 603.27 | K | Relay (1.0) Calculated Property |
| Tc | 834.95 | K | Relay (1.0) Calculated Property |
| Tfus | 354.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.886 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.55; 786.11] | J/mol×K | [786.33; 988.30] |
|
| Cp,gas | 717.55 | J/mol×K | 786.33 | Joback Calculated Property |
| Cp,gas | 731.26 | J/mol×K | 819.99 | Joback Calculated Property |
| Cp,gas | 744.01 | J/mol×K | 853.65 | Joback Calculated Property |
| Cp,gas | 755.83 | J/mol×K | 887.32 | Joback Calculated Property |
| Cp,gas | 766.77 | J/mol×K | 920.98 | Joback Calculated Property |
| Cp,gas | 776.85 | J/mol×K | 954.64 | Joback Calculated Property |
| Cp,gas | 786.11 | J/mol×K | 988.30 | Joback Calculated Property |
Similar Compounds
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Sources
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