- InChI
- InChI=1S/C26H53I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h2-26H2,1H3
- InChI Key
- QLWJHYYRERTPQW-UHFFFAOYSA-N
- Formula
- C26H53I
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCI
- Molecular Weight1
- 492.60
- CAS
- 52644-81-2
- 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).
- 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 | 1.1095 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.804 | Crippen Calculated Property | |
| McVol | 403.020 | ml/mol | McGowan Calculated Property |
| Pc | 716.45 | kPa | Joback Calculated Property |
| Tboil | 660.96 | K | Relay (1.0) Calculated Property |
| Tc | 849.28 | K | Relay (1.0) Calculated Property |
| Tfus | 324.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.583 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.12; 1369.87] | 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 | -9.05500e+00 | |||
| Coefficient B | 2.51282e+00 | |||
| Coefficient C | -1.47200e-03 | |||
| Coefficient D | 3.38100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 574.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 710.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 832.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 941.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1037.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1122.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1196.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1262.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1319.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1369.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010527; 0.0000540] | Pa×s | [440.84; 760.80] |
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 | -1.39203e+01 | |||
| Coefficient B | 3.11402e+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. | 440.84 | |||
| Temperature range, max. | 760.80 | |||
| η | 0.0010527 | Pa×s | 440.84 | Calculated Property |
| η | 0.0006214 | Pa×s | 476.39 | Calculated Property |
| η | 0.0003946 | Pa×s | 511.94 | Calculated Property |
| η | 0.0002659 | Pa×s | 547.49 | Calculated Property |
| η | 0.0001880 | Pa×s | 583.04 | Calculated Property |
| η | 0.0001383 | Pa×s | 618.59 | Calculated Property |
| η | 0.0001052 | Pa×s | 654.15 | Calculated Property |
| η | 0.0000823 | Pa×s | 689.70 | Calculated Property |
| η | 0.0000660 | Pa×s | 725.25 | Calculated Property |
| η | 0.0000540 | Pa×s | 760.80 | Calculated Property |
Similar Compounds
Find more compounds similar to hexacosane, 1-iodo-.
Sources
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