- InChI
- InChI=1S/C28H57I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h2-28H2,1H3
- InChI Key
- HTERHJSPVTYONY-UHFFFAOYSA-N
- Formula
- C28H57I
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCI
- Molecular Weight1
- 520.66
- CAS
- 62154-80-7
- 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 | 1.1798 | Relay (1.0) Calculated Property | |
| ΔfG° | 243.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 158.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.584 | Crippen Calculated Property | |
| McVol | 431.200 | ml/mol | McGowan Calculated Property |
| Pc | 648.12 | kPa | Joback Calculated Property |
| Tboil | 673.29 | K | Relay (1.0) Calculated Property |
| Tc | 861.00 | K | Relay (1.0) Calculated Property |
| Tfus | 328.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.693 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.54; 1473.05] | 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 | -1.08730e+01 | |||
| Coefficient B | 2.70282e+00 | |||
| Coefficient C | -1.58080e-03 | |||
| Coefficient D | 3.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 616.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 763.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 894.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1115.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1206.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1286.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1357.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1418.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1473.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007957; 0.0000392] | Pa×s | [463.38; 802.23] |
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 | -1.42629e+01 | |||
| Coefficient B | 3.30234e+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. | 463.38 | |||
| Temperature range, max. | 802.23 | |||
| η | 0.0007957 | Pa×s | 463.38 | Calculated Property |
| η | 0.0004658 | Pa×s | 501.03 | Calculated Property |
| η | 0.0002938 | Pa×s | 538.68 | Calculated Property |
| η | 0.0001969 | Pa×s | 576.33 | Calculated Property |
| η | 0.0001385 | Pa×s | 613.98 | Calculated Property |
| η | 0.0001015 | Pa×s | 651.63 | Calculated Property |
| η | 0.0000770 | Pa×s | 689.28 | Calculated Property |
| η | 0.0000601 | Pa×s | 726.93 | Calculated Property |
| η | 0.0000480 | Pa×s | 764.58 | Calculated Property |
| η | 0.0000392 | Pa×s | 802.23 | Calculated Property |
Similar Compounds
Find more compounds similar to octacosane, 1-iodo-.
Sources
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