- InChI
- InChI=1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-20-17-14-12-15-18-21-22/h22H,2-21H2,1H3
- InChI Key
- SPBDXAPDOVTEDQ-UHFFFAOYSA-N
- Formula
- C22H44
- SMILES
- CCCCCCCCCCCCCCC1CCCCCCC1
- Molecular Weight1
- 308.58
- CAS
- 149003-36-1
- 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).
- Inp : Non-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 | 0.7583 | Relay (1.0) Calculated Property | |
| ΔfG° | 134.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.438 | Crippen Calculated Property | |
| McVol | 309.980 | ml/mol | McGowan Calculated Property |
| Pc | 1057.57 | kPa | Joback Calculated Property |
| Inp | 2340.00 | NIST | |
| Tboil | 635.46 | K | Relay (1.0) Calculated Property |
| Tc | 812.50 | K | Relay (1.0) Calculated Property |
| Tfus | 288.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.28; 1142.96] | 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 | -9.29570e+01 | |||
| Coefficient B | 2.19672e+00 | |||
| Coefficient C | -1.16120e-03 | |||
| Coefficient D | 2.00400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 424.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 658.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 758.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 846.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 924.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 991.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1050.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1100.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1142.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043631; 0.0000717] | Pa×s | [338.04; 642.02] |
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 | -1.41110e+01 | |||
| Coefficient B | 2.93297e+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. | 338.04 | |||
| Temperature range, max. | 642.02 | |||
| η | 0.0043631 | Pa×s | 338.04 | Calculated Property |
| η | 0.0019838 | Pa×s | 371.82 | Calculated Property |
| η | 0.0010285 | Pa×s | 405.59 | Calculated Property |
| η | 0.0005899 | Pa×s | 439.37 | Calculated Property |
| η | 0.0003663 | Pa×s | 473.14 | Calculated Property |
| η | 0.0002424 | Pa×s | 506.92 | Calculated Property |
| η | 0.0001688 | Pa×s | 540.70 | Calculated Property |
| η | 0.0001227 | Pa×s | 574.47 | Calculated Property |
| η | 0.0000924 | Pa×s | 608.25 | Calculated Property |
| η | 0.0000717 | Pa×s | 642.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclooctane, tetradecyl-.
Sources
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