- InChI
- InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H
- InChI Key
- MAHIBRPXUPUAIF-UHFFFAOYSA-N
- Formula
- C10H4F6
- SMILES
-
C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c
1 - Molecular Weight1
- 238.13
- CAS
- 88444-81-9
- 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 | 0.3998 | Relay (1.0) Calculated Property | |
| ΔfG° | -813.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1010.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.706 | Crippen Calculated Property | |
| McVol | 130.020 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | [812.10; 812.10] |
|
|
| Inp | 812.10 | NIST | |
| Inp | 812.10 | NIST | |
| Tboil | 428.05 | K | Relay (1.0) Calculated Property |
| Tc | 650.07 | K | Relay (1.0) Calculated Property |
| Tfus | 371.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.84; 339.84] | J/mol×K | [444.12; 627.55] |
|
| Cp,gas | 282.84 | J/mol×K | 444.12 | Joback Calculated Property |
| Cp,gas | 294.31 | J/mol×K | 474.69 | Joback Calculated Property |
| Cp,gas | 304.94 | J/mol×K | 505.26 | Joback Calculated Property |
| Cp,gas | 314.76 | J/mol×K | 535.83 | Joback Calculated Property |
| Cp,gas | 323.81 | J/mol×K | 566.40 | Joback Calculated Property |
| Cp,gas | 332.16 | J/mol×K | 596.98 | Joback Calculated Property |
| Cp,gas | 339.84 | J/mol×K | 627.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethynyl-3,5-bis(trifluoromethyl)benzene.
Sources
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