- InChI
- InChI=1S/C6H13I/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
- InChI Key
- KHNRCDHEOHOYFY-UHFFFAOYSA-N
- Formula
- C6H13I
- SMILES
- CC(C)CCCI
- Molecular Weight1
- 212.07
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.3168 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) 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 | [990.00; 1053.00] |
|
|
| Inp | 1053.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 990.00 | NIST | |
| Ip | [1213.00; 1213.00] |
|
|
| Ip | 1213.00 | NIST | |
| Ip | 1213.00 | NIST | |
| Tboil | 436.41 | K | Relay (1.0) Calculated Property |
| Tc | 649.86 | K | Relay (1.0) Calculated Property |
| Tfus | 184.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.53; 338.58] | 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 | 7.44300e+00 | |||
| Coefficient B | 6.18740e-01 | |||
| Coefficient C | -3.87200e-04 | |||
| Coefficient D | 9.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 297.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0101753; 0.0003152] | Pa×s | [200.44; 444.42] |
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 | -1.09171e+01 | |||
| Coefficient B | 1.26864e+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. | 200.44 | |||
| Temperature range, max. | 444.42 | |||
| η | 0.0101753 | Pa×s | 200.44 | Calculated Property |
| η | 0.0047872 | Pa×s | 227.55 | Calculated Property |
| η | 0.0026444 | Pa×s | 254.66 | Calculated Property |
| η | 0.0016375 | Pa×s | 281.77 | Calculated Property |
| η | 0.0011030 | Pa×s | 308.87 | Calculated Property |
| η | 0.0007918 | Pa×s | 335.98 | Calculated Property |
| η | 0.0005973 | Pa×s | 363.09 | Calculated Property |
| η | 0.0004686 | Pa×s | 390.20 | Calculated Property |
| η | 0.0003794 | Pa×s | 417.31 | Calculated Property |
| η | 0.0003152 | Pa×s | 444.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-iodo-4-methyl.
Sources
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