- InChI
- InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
- InChI Key
- IGISPMBUGPHLBY-UHFFFAOYSA-N
- Formula
- C7H4F3I
- SMILES
- FC(F)(F)c1cccc(I)c1
- Molecular Weight1
- 272.01
- CAS
- 401-81-0
- Other Names
-
- m-Iodobenzotrifluoride
- 3-Iodobenzotrifluoride
- 3-(Trifluoromethyl)iodobenzene
- «alpha»,«alpha»,«alpha»-Trifluoro-m-iodotoluene
- m-(Trifluoromethyl)iodobenzene
- Toluene, «alpha»,«alpha»,«alpha»-trifluoro-m-iodo-
- 1-Iodo-3-(trifluoromethyl)benzene
- m-Iodo-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3078 | Relay (... Calculated Property | |
| ΔfG° | -412.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -3.51 | Relay (... Calculated Property | |
| logPoct/wat | 3.310 | Crippen Calculated Property | |
| McVol | 116.860 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Inp | [1015.60; 1023.00] |
|
|
| Inp | 1015.60 | NIST | |
| Inp | 1015.60 | NIST | |
| Inp | 1023.00 | NIST | |
| Tboil | 462.05 | K | Relay (... Calculated Property |
| Tc | 676.07 | K | Relay (... Calculated Property |
| Tfus | 265.77 | K | Relay (... Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.40; 258.51] | J/mol×K | [478.94; 707.75] |
|
| Cp,gas | 211.40 | J/mol×K | 478.94 | Joback Calculated Property |
| Cp,gas | 221.30 | J/mol×K | 517.08 | Joback Calculated Property |
| Cp,gas | 230.28 | J/mol×K | 555.21 | Joback Calculated Property |
| Cp,gas | 238.43 | J/mol×K | 593.35 | Joback Calculated Property |
| Cp,gas | 245.80 | J/mol×K | 631.48 | Joback Calculated Property |
| Cp,gas | 252.48 | J/mol×K | 669.62 | Joback Calculated Property |
| Cp,gas | 258.51 | J/mol×K | 707.75 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [355.00; 355.50] | K | [3.30; 3.30] |
|
| Tboilr | 355.50 | K | 3.30 | NIST |
| Tboilr | 355.00 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-iodo-3-(trifluoromethyl)-.
Sources
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