- InChI
- InChI=1S/C2F3N/c3-2(4,5)1-6
- InChI Key
- SFFUEHODRAXXIA-UHFFFAOYSA-N
- Formula
- C2F3N
- SMILES
- N#CC(F)(F)F
- Molecular Weight1
- 95.02
- CAS
- 353-85-5
- Other Names
-
- CF3CN
- CYANOTRIFLUOROMETHANE
- TRIFLUOROACETONITRILE
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2670 | KDB | |
| PAff | 688.40 | kJ/mol | NIST |
| BasG | 657.70 | kJ/mol | NIST |
| ΔfG° | -462.20 | kJ/mol | KDB |
| ΔfH°gas | [-496.60; -460.00] | kJ/mol |
|
| ΔfH°gas | -495.70 | kJ/mol | KDB |
| ΔfH°gas | -460.00 ± 30.00 | kJ/mol | NIST |
| ΔfH°gas | -496.60 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 4.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.78 | kJ/mol | Joback Calculated Property |
| IE | [13.86; 14.30] | eV |
|
| IE | 13.93 ± 0.07 | eV | NIST |
| IE | 14.00 | eV | NIST |
| IE | 13.86 | eV | NIST |
| IE | 14.30 | eV | NIST |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.072 | Crippen Calculated Property | |
| McVol | 45.730 | ml/mol | McGowan Calculated Property |
| Pc | [3618.00; 3618.00] | kPa |
|
| Pc | 3618.00 | kPa | KDB |
| Pc | 3618.00 ± 3.44 | kPa | NIST |
| ρc | 470.37 ± 4.69 | kg/m3 | NIST |
| Inp | [246.00; 246.00] |
|
|
| Inp | 246.00 | NIST | |
| Inp | 246.00 | NIST | |
| S°liquid | 184.43 | J/mol×K | NIST |
| Tboil | [204.33; 209.00] | K |
|
| Tboil | 204.33 | K | KDB |
| Tboil | 209.00 | K | NIST |
| Tboil | 209.00 | K | NIST |
| Tc | [311.11; 311.11] | K |
|
| Tc | 311.11 | K | KDB |
| Tc | 311.11 ± 0.20 | K | NIST |
| Tfus | 181.48 | K | Joback Calculated Property |
| Ttriple | 128.73 ± 0.02 | K | NIST |
| Vc | 0.202 | m3/kmol | KDB |
| Zc | 0.2825330 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.59; 101.24] | J/mol×K | [341.82; 516.00] |
|
| Cp,gas | 82.59 | J/mol×K | 341.82 | Joback Calculated Property |
| Cp,gas | 86.37 | J/mol×K | 370.85 | Joback Calculated Property |
| Cp,gas | 89.86 | J/mol×K | 399.88 | Joback Calculated Property |
| Cp,gas | 93.07 | J/mol×K | 428.91 | Joback Calculated Property |
| Cp,gas | 96.03 | J/mol×K | 457.94 | Joback Calculated Property |
| Cp,gas | 98.75 | J/mol×K | 486.97 | Joback Calculated Property |
| Cp,gas | 101.24 | J/mol×K | 516.00 | Joback Calculated Property |
| Cp,liquid | 118.11 | J/mol×K | 205.00 | NIST |
| ΔfusH | [4.97; 4.97] | kJ/mol | [128.70; 128.73] |
|
| ΔfusH | 4.97 | kJ/mol | 128.70 | NIST |
| ΔfusH | 4.97 | kJ/mol | 128.70 | NIST |
| ΔfusH | 4.97 | kJ/mol | 128.73 | NIST |
| ΔvapH | [17.40; 19.30] | kJ/mol | [172.00; 309.00] |
|
| ΔvapH | 19.20 | kJ/mol | 172.00 | NIST |
| ΔvapH | 19.20 | kJ/mol | 174.00 | NIST |
| ΔvapH | 19.30 | kJ/mol | 178.50 | NIST |
| ΔvapH | 17.83 | kJ/mol | 205.47 | NIST |
| ΔvapH | 18.50 | kJ/mol | 219.00 | NIST |
| ΔvapH | 17.40 | kJ/mol | 291.50 | NIST |
| ΔvapH | 17.40 | kJ/mol | 309.00 | NIST |
| ΔfusS | 38.62 | J/mol×K | 128.73 | NIST |
| ΔvapS | 86.79 | J/mol×K | 205.47 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.64] | kPa | [147.05; 217.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56198e+01 | |||
| Coefficient B | -2.13202e+03 | |||
| Coefficient C | -1.05560e+01 | |||
| Temperature range, min. | 147.05 | |||
| Temperature range, max. | 217.38 | |||
| Pvap | 1.00 | kPa | 147.05 | Calculated Property |
| Pvap | 2.33 | kPa | 154.86 | Calculated Property |
| Pvap | 4.98 | kPa | 162.68 | Calculated Property |
| Pvap | 9.87 | kPa | 170.49 | Calculated Property |
| Pvap | 18.36 | kPa | 178.31 | Calculated Property |
| Pvap | 32.33 | kPa | 186.12 | Calculated Property |
| Pvap | 54.25 | kPa | 193.94 | Calculated Property |
| Pvap | 87.25 | kPa | 201.75 | Calculated Property |
| Pvap | 135.19 | kPa | 209.57 | Calculated Property |
| Pvap | 202.64 | kPa | 217.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, trifluoro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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