- InChI
- InChI=1S/C11H12F3NO2/c1-7(2)17-10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
- InChI Key
- BXBUGIFDTNEDNS-UHFFFAOYSA-N
- Formula
- C11H12F3NO2
- SMILES
- CC(C)OC(=O)Nc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 247.21
- CAS
- 370-56-9
- Other Names
-
- isopropyl m-trifluoromethylcarbanilate
- 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 | 0.6126 | Relay (1.0) Calculated Property | |
| ΔfG° | -584.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.662 | Crippen Calculated Property | |
| McVol | 164.820 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Tboil | 506.73 | K | Relay (1.0) Calculated Property |
| Tc | 744.08 | K | Relay (1.0) Calculated Property |
| Tfus | 352.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.99; 490.41] | J/mol×K | [603.34; 801.03] | 
|
| Cp,gas | 423.99 | J/mol×K | 603.34 | Joback Calculated Property |
| Cp,gas | 437.04 | J/mol×K | 636.29 | Joback Calculated Property |
| Cp,gas | 449.26 | J/mol×K | 669.24 | Joback Calculated Property |
| Cp,gas | 460.67 | J/mol×K | 702.19 | Joback Calculated Property |
| Cp,gas | 471.31 | J/mol×K | 735.14 | Joback Calculated Property |
| Cp,gas | 481.21 | J/mol×K | 768.09 | Joback Calculated Property |
| Cp,gas | 490.41 | J/mol×K | 801.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl N-(3-trifluoromethylphenyl)carbamate.
Sources
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