- InChI
- InChI=1S/C2F3NS/c3-2(4,5)7-1-6
- InChI Key
- IWJODGXJDSWIHQ-UHFFFAOYSA-N
- Formula
- C2F3NS
- SMILES
- N#CSC(F)(F)F
- Molecular Weight1
- 127.09
- CAS
- 690-24-4
- Other Names
-
- Thiocyanic acid, trifluoromethyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | -449.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.720 | Crippen Calculated Property | |
| McVol | 62.080 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Tboil | 410.60 | K | Joback Calculated Property |
| Tc | 611.33 | K | Joback Calculated Property |
| Tfus | 215.88 | K | Joback Calculated Property |
| Vc | 0.271 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.24; 132.85] | J/mol×K | [410.60; 611.33] | 
|
| Cp,gas | 113.24 | J/mol×K | 410.60 | Joback Calculated Property |
| Cp,gas | 117.27 | J/mol×K | 444.06 | Joback Calculated Property |
| Cp,gas | 120.97 | J/mol×K | 477.51 | Joback Calculated Property |
| Cp,gas | 124.37 | J/mol×K | 510.97 | Joback Calculated Property |
| Cp,gas | 127.47 | J/mol×K | 544.42 | Joback Calculated Property |
| Cp,gas | 130.29 | J/mol×K | 577.88 | Joback Calculated Property |
| Cp,gas | 132.85 | J/mol×K | 611.33 | Joback Calculated Property |
| ΔvapH | 32.60 | kJ/mol | 260.00 | NIST |
Similar Compounds
Find more compounds similar to Trifluoromethylthiocyanate.
Sources
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