- 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.
- Ip : 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 | |
| Ip | [1093.00; 1093.00] |
|
|
| Ip | 1093.00 | NIST | |
| Ip | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.31; 286.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.35200e+00 | |||
| Coefficient B | 5.23740e-01 | |||
| Coefficient C | -3.32800e-04 | |||
| Coefficient D | 8.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 220.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 237.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 252.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 276.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 286.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0102765; 0.0003175] | Pa×s | [189.17; 429.97] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.07865e+01 | |||
| Coefficient B | 1.17448e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 189.17 | |||
| Temperature range, max. | 429.97 | |||
| η | 0.0102765 | Pa×s | 189.17 | Calculated Property |
| η | 0.0047614 | Pa×s | 215.93 | Calculated Property |
| η | 0.0026140 | Pa×s | 242.68 | Calculated Property |
| η | 0.0016166 | Pa×s | 269.44 | Calculated Property |
| η | 0.0010904 | Pa×s | 296.19 | Calculated Property |
| η | 0.0007851 | Pa×s | 322.95 | Calculated Property |
| η | 0.0005944 | Pa×s | 349.70 | Calculated Property |
| η | 0.0004682 | Pa×s | 376.46 | Calculated Property |
| η | 0.0003806 | Pa×s | 403.21 | Calculated Property |
| η | 0.0003175 | Pa×s | 429.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [309.52; 457.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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