- InChI
- InChI=1S/C4H6F3I/c1-3(8)2-4(5,6)7/h3H,2H2,1H3
- InChI Key
- SYXQWKHNRKDCIF-UHFFFAOYSA-N
- Formula
- C4H6F3I
- SMILES
- CC(I)CC(F)(F)F
- Molecular Weight1
- 237.99
- CAS
- 540-87-4
- 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 | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 2.762 | 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 | 32.40 | kJ/mol | 312.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [264.52; 401.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49988e+01 | |||
| Coefficient B | -3.89137e+03 | |||
| Temperature range, min. | 264.52 | |||
| Temperature range, max. | 401.70 | |||
| Pvap | 1.33 | kPa | 264.52 | Calculated Property |
| Pvap | 2.97 | kPa | 279.76 | Calculated Property |
| Pvap | 6.10 | kPa | 295.00 | Calculated Property |
| Pvap | 11.66 | kPa | 310.25 | Calculated Property |
| Pvap | 20.98 | kPa | 325.49 | Calculated Property |
| Pvap | 35.81 | kPa | 340.73 | Calculated Property |
| Pvap | 58.39 | kPa | 355.97 | Calculated Property |
| Pvap | 91.47 | kPa | 371.22 | Calculated Property |
| Pvap | 138.31 | kPa | 386.46 | Calculated Property |
| Pvap | 202.67 | kPa | 401.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Trifluoro-3-iodobutane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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