- InChI
- InChI=1S/C22H45I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
- InChI Key
- QQTWESGWRGHHPL-UHFFFAOYSA-N
- Formula
- C22H45I
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCI
- Molecular Weight1
- 436.50
- CAS
- 62127-53-1
- 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 | 0.9690 | Relay (1.0) Calculated Property | |
| ΔfG° | 192.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.243 | Crippen Calculated Property | |
| McVol | 346.660 | ml/mol | McGowan Calculated Property |
| Pc | 890.00 | kPa | Joback Calculated Property |
| Tboil | 636.23 | K | Relay (1.0) Calculated Property |
| Tc | 824.65 | K | Relay (1.0) Calculated Property |
| Tfus | 315.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.26; 1163.50] | 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 | -5.41900e+00 | |||
| Coefficient B | 2.13282e+00 | |||
| Coefficient C | -1.25440e-03 | |||
| Coefficient D | 2.90500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 489.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 604.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 708.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 800.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 881.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 953.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1016.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1072.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1120.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1163.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017848; 0.0000958] | Pa×s | [395.76; 685.77] |
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 | -1.32452e+01 | |||
| Coefficient B | 2.73738e+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. | 395.76 | |||
| Temperature range, max. | 685.77 | |||
| η | 0.0017848 | Pa×s | 395.76 | Calculated Property |
| η | 0.0010603 | Pa×s | 427.98 | Calculated Property |
| η | 0.0006775 | Pa×s | 460.21 | Calculated Property |
| η | 0.0004591 | Pa×s | 492.43 | Calculated Property |
| η | 0.0003263 | Pa×s | 524.65 | Calculated Property |
| η | 0.0002413 | Pa×s | 556.88 | Calculated Property |
| η | 0.0001844 | Pa×s | 589.10 | Calculated Property |
| η | 0.0001449 | Pa×s | 621.32 | Calculated Property |
| η | 0.0001166 | Pa×s | 653.55 | Calculated Property |
| η | 0.0000958 | Pa×s | 685.77 | Calculated Property |
Similar Compounds
Find more compounds similar to docosane, 1-iodo-.
Sources
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