- InChI
- InChI=1S/C10H7F7/c1-6-2-4-7(5-3-6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
- InChI Key
- XEFRSBQTXVJYKZ-UHFFFAOYSA-N
- Formula
- C10H7F7
- SMILES
-
Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)
cc1 - Molecular Weight1
- 260.15
- 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).
- 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 | 0.4041 | Relay (1.0) Calculated Property | |
| ΔfG° | -1219.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1449.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.284 | Crippen Calculated Property | |
| McVol | 140.390 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Tboil | 405.08 | K | Relay (1.0) Calculated Property |
| Tc | 577.18 | K | Relay (1.0) Calculated Property |
| Tfus | 201.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.92; 467.57] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.65900e+01 | |||
| Coefficient B | 1.27542e+00 | |||
| Coefficient C | -1.11456e-03 | |||
| Coefficient D | 3.63300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 271.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 354.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 384.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 408.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 443.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 467.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to p-(Heptafluoroisopropyl)toluene.
Sources
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