- InChI
- InChI=1S/C6H13I/c1-3-6(2)4-5-7/h6H,3-5H2,1-2H3
- InChI Key
- VYPSHMOLHNQXBM-UHFFFAOYSA-N
- Formula
- C6H13I
- SMILES
- CCC(C)CCI
- Molecular Weight1
- 212.07
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
- I : Polar retention indices.
- 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° | 55.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.858 | Crippen Calculated Property | |
| McVol | 121.220 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | [995.00; 1058.00] |
|
|
| Inp | 1058.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1058.00 | NIST | |
| I | [1214.00; 1214.00] |
|
|
| I | 1214.00 | NIST | |
| I | 1214.00 | NIST | |
| Tboil | 429.38 | K | Joback Calculated Property |
| Tc | 634.59 | K | Joback Calculated Property |
| Tfus | 200.44 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.62; 269.61] | J/mol×K | [429.38; 634.59] |
|
| Cp,gas | 209.62 | J/mol×K | 429.38 | Joback Calculated Property |
| Cp,gas | 220.99 | J/mol×K | 463.58 | Joback Calculated Property |
| Cp,gas | 231.78 | J/mol×K | 497.78 | Joback Calculated Property |
| Cp,gas | 242.02 | J/mol×K | 531.98 | Joback Calculated Property |
| Cp,gas | 251.72 | J/mol×K | 566.18 | Joback Calculated Property |
| Cp,gas | 260.91 | J/mol×K | 600.38 | Joback Calculated Property |
| Cp,gas | 269.61 | J/mol×K | 634.59 | Joback Calculated Property |
| η | [0.0003483; 0.0101753] | Pa×s | [200.44; 429.38] |
|
| η | 0.0101753 | Pa×s | 200.44 | Joback Calculated Property |
| η | 0.0036980 | Pa×s | 238.60 | Joback Calculated Property |
| η | 0.0017766 | Pa×s | 276.75 | Joback Calculated Property |
| η | 0.0010195 | Pa×s | 314.91 | Joback Calculated Property |
| η | 0.0006596 | Pa×s | 353.07 | Joback Calculated Property |
| η | 0.0004646 | Pa×s | 391.22 | Joback Calculated Property |
| η | 0.0003483 | Pa×s | 429.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-iodo-3-methyl.
Sources
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