- InChI
- InChI=1S/C7H3ClF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
- InChI Key
- SSLWFPKNYZEOTH-UHFFFAOYSA-N
- Formula
- C7H3ClF3I
- SMILES
- FC(F)(F)c1ccc(Cl)c(I)c1
- Molecular Weight1
- 306.45
- CAS
- 672-57-1
- Other Names
-
- Benzene, 1-chloro-2-iodo-4-(trifluoromethyl)-
- Toluene, 4-chloro-3-iodo-alpha,alpha,alpha-trifluoro-
- 4-Chloro-3-iodo-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 1-chloro-2-iodo-4-(trifluoromethyl)benzene
- 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 | 0.3489 | Relay (1.0) Calculated Property | |
| ΔfG° | -434.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.963 | Crippen Calculated Property | |
| McVol | 129.100 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [1170.80; 1170.80] |
|
|
| Inp | 1170.80 | NIST | |
| Inp | 1170.80 | NIST | |
| Tboil | 488.47 | K | Relay (1.0) Calculated Property |
| Tc | 709.76 | K | Relay (1.0) Calculated Property |
| Tfus | 311.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.49; 272.57] | J/mol×K | [521.35; 756.83] |
|
| Cp,gas | 232.49 | J/mol×K | 521.35 | Joback Calculated Property |
| Cp,gas | 240.98 | J/mol×K | 560.60 | Joback Calculated Property |
| Cp,gas | 248.67 | J/mol×K | 599.84 | Joback Calculated Property |
| Cp,gas | 255.60 | J/mol×K | 639.09 | Joback Calculated Property |
| Cp,gas | 261.85 | J/mol×K | 678.34 | Joback Calculated Property |
| Cp,gas | 267.48 | J/mol×K | 717.59 | Joback Calculated Property |
| Cp,gas | 272.57 | J/mol×K | 756.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [332.00; 332.20] | K | [0.07; 0.07] |
|
| Tboilr | 332.20 | K | 0.07 | NIST |
| Tboilr | 332.00 ± 1.00 | K | 0.07 | NIST |
Similar Compounds
Find more compounds similar to 4-Chloro-3-iodobenzotrifluoride.
Sources
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