- InChI
- InChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- MLKZKPUBHSWMNA-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCCCCCCCCCCCCCCCC(C)C
- Molecular Weight1
- 296.57
- CAS
- 1560-84-5
- Other Names
-
- 2-Methyleicosane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.8648 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.294 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 960.88 | kPa | Joback Calculated Property |
| Inp | [2060.50; 2065.30] |
|
|
| Inp | 2064.00 | NIST | |
| Inp | Outlier 2060.50 | NIST | |
| Inp | 2063.10 | NIST | |
| Inp | 2063.00 | NIST | |
| Inp | 2062.80 | NIST | |
| Inp | 2062.80 | NIST | |
| Inp | 2064.00 | NIST | |
| Inp | 2064.00 | NIST | |
| Inp | 2065.30 | NIST | |
| Inp | 2064.00 | NIST | |
| Inp | 2064.00 | NIST | |
| I | [2061.70; 2061.70] |
|
|
| I | 2061.70 | NIST | |
| I | 2061.70 | NIST | |
| Tboil | 584.52 | K | Relay (1.0) Calculated Property |
| Tc | 753.89 | K | Relay (1.0) Calculated Property |
| Tfus | 295.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.231 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 70.30 | kJ/mol | 547.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.66; 1103.28] | 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 | -1.78830e+01 | |||
| Coefficient B | 2.00476e+00 | |||
| Coefficient C | -1.12180e-03 | |||
| Coefficient D | 2.38200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 450.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 561.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 661.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 749.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 829.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 899.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 960.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1014.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1062.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1103.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045387; 0.0001335] | Pa×s | [311.43; 590.04] |
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 | -1.28627e+01 | |||
| Coefficient B | 2.32562e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 311.43 | |||
| Temperature range, max. | 590.04 | |||
| η | 0.0045387 | Pa×s | 311.43 | Calculated Property |
| η | 0.0023105 | Pa×s | 342.39 | Calculated Property |
| η | 0.0013156 | Pa×s | 373.34 | Calculated Property |
| η | 0.0008165 | Pa×s | 404.30 | Calculated Property |
| η | 0.0005424 | Pa×s | 435.26 | Calculated Property |
| η | 0.0003804 | Pa×s | 466.21 | Calculated Property |
| η | 0.0002788 | Pa×s | 497.17 | Calculated Property |
| η | 0.0002120 | Pa×s | 528.13 | Calculated Property |
| η | 0.0001661 | Pa×s | 559.08 | Calculated Property |
| η | 0.0001335 | Pa×s | 590.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosane, 2-methyl-.
Sources
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