- InChI
- InChI=1S/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
- InChI Key
- VRQDQJYBWZERBW-UHFFFAOYSA-N
- Formula
- C5H11I
- SMILES
- CCC(I)CC
- Molecular Weight1
- 198.05
- CAS
- 1809-05-8
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.610 | Crippen Calculated Property | |
| McVol | 107.130 | ml/mol | McGowan Calculated Property |
| Inp | 876.00 | NIST | |
| I | [1093.00; 1093.00] |
|
|
| I | 1093.00 | NIST | |
| I | 1093.00 | NIST | |
| Tboil | 416.58 | K | Relay (1.0) Calculated Property |
| Tfus | 181.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.21; 224.82] | J/mol×K | [406.70; 614.24] |
|
| Cp,gas | 172.21 | J/mol×K | 406.70 | Joback Calculated Property |
| Cp,gas | 182.20 | J/mol×K | 441.29 | Joback Calculated Property |
| Cp,gas | 191.67 | J/mol×K | 475.88 | Joback Calculated Property |
| Cp,gas | 200.65 | J/mol×K | 510.47 | Joback Calculated Property |
| Cp,gas | 209.15 | J/mol×K | 545.06 | Joback Calculated Property |
| Cp,gas | 217.20 | J/mol×K | 579.65 | Joback Calculated Property |
| Cp,gas | 224.82 | J/mol×K | 614.24 | Joback Calculated Property |
| η | [0.0003712; 0.0102765] | Pa×s | [189.17; 406.70] |
|
| η | 0.0102765 | Pa×s | 189.17 | Joback Calculated Property |
| η | 0.0037861 | Pa×s | 225.42 | Joback Calculated Property |
| η | 0.0018395 | Pa×s | 261.68 | Joback Calculated Property |
| η | 0.0010654 | Pa×s | 297.94 | Joback Calculated Property |
| η | 0.0006947 | Pa×s | 334.19 | Joback Calculated Property |
| η | 0.0004925 | Pa×s | 370.44 | Joback Calculated Property |
| η | 0.0003712 | Pa×s | 406.70 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [309.52; 457.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38831e+01 | |||
| Coefficient B | -3.42776e+03 | |||
| Coefficient C | -5.73960e+01 | |||
| Temperature range, min. | 309.52 | |||
| Temperature range, max. | 457.29 | |||
| Pvap | 1.33 | kPa | 309.52 | Calculated Property |
| Pvap | 3.06 | kPa | 325.94 | Calculated Property |
| Pvap | 6.39 | kPa | 342.36 | Calculated Property |
| Pvap | 12.30 | kPa | 358.78 | Calculated Property |
| Pvap | 22.14 | kPa | 375.20 | Calculated Property |
| Pvap | 37.60 | kPa | 391.61 | Calculated Property |
| Pvap | 60.78 | kPa | 408.03 | Calculated Property |
| Pvap | 94.12 | kPa | 424.45 | Calculated Property |
| Pvap | 140.39 | kPa | 440.87 | Calculated Property |
| Pvap | 202.64 | kPa | 457.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodopentane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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