- InChI
- InChI=1S/C4H6F3I/c1-3(2-8)4(5,6)7/h3H,2H2,1H3
- InChI Key
- UEEFSGKHKKFYRL-UHFFFAOYSA-N
- Formula
- C4H6F3I
- SMILES
- CC(CI)C(F)(F)F
- Molecular Weight1
- 237.99
- CAS
- 26653-47-4
- Other Names
-
- 1,1,1-Trifluoro-3-iodo-2-methylpropane
- 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).
- Pvap : Vapor 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° | -543.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 98.350 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 378.20 | K | Joback Calculated Property |
| Tc | 566.53 | K | Joback Calculated Property |
| Tfus | 182.09 | K | Joback Calculated Property |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.64; 206.89] | J/mol×K | [378.20; 566.53] | 
|
| Cp,gas | 163.64 | J/mol×K | 378.20 | Joback Calculated Property |
| Cp,gas | 172.21 | J/mol×K | 409.59 | Joback Calculated Property |
| Cp,gas | 180.19 | J/mol×K | 440.98 | Joback Calculated Property |
| Cp,gas | 187.63 | J/mol×K | 472.36 | Joback Calculated Property |
| Cp,gas | 194.53 | J/mol×K | 503.75 | Joback Calculated Property |
| Cp,gas | 200.94 | J/mol×K | 535.14 | Joback Calculated Property |
| Cp,gas | 206.89 | J/mol×K | 566.53 | Joback Calculated Property |
| ΔvapH | 30.40 | kJ/mol | 333.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [256.80; 397.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45084e+01 | |||
| Coefficient B | -3.65190e+03 | |||
| Temperature range, min. | 256.80 | |||
| Temperature range, max. | 397.08 | |||
| Pvap | 1.33 | kPa | 256.80 | Calculated Property |
| Pvap | 3.01 | kPa | 272.39 | Calculated Property |
| Pvap | 6.22 | kPa | 287.97 | Calculated Property |
| Pvap | 11.92 | kPa | 303.56 | Calculated Property |
| Pvap | 21.45 | kPa | 319.15 | Calculated Property |
| Pvap | 36.54 | kPa | 334.73 | Calculated Property |
| Pvap | 59.38 | kPa | 350.32 | Calculated Property |
| Pvap | 92.57 | kPa | 365.91 | Calculated Property |
| Pvap | 139.17 | kPa | 381.49 | Calculated Property |
| Pvap | 202.65 | kPa | 397.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Iodo-2-trifluoromethylpropane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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