- InChI
- InChI=1S/C21H44/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)5-2/h21H,4-20H2,1-3H3
- InChI Key
- GZCXIMGMPAZPPM-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCCCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 296.57
- CAS
- 6418-46-8
- Other Names
-
- 3-Methyleicosane
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 123.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.95 | kJ/mol | Joback Calculated Property |
| log10WS | -8.37 | Crippen 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 | [2062.00; 2074.20] |
|
|
| Inp | 2072.00 | NIST | |
| Inp | 2074.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2074.00 | NIST | |
| Inp | 2072.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2074.20 | NIST | |
| Inp | 2065.00 | NIST | |
| Inp | Outlier 2062.00 | NIST | |
| Inp | 2069.00 | NIST | |
| Tboil | 679.44 | K | Joback Calculated Property |
| Tc | 842.66 | K | Joback Calculated Property |
| Tfus | [286.45; 286.50] | K |
|
| Tfus | 286.45 | K | NIST |
| Tfus | 286.50 ± 0.50 | K | NIST |
| Vc | 1.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.08; 1017.42] | J/mol×K | [679.44; 842.66] |
|
| Cp,gas | 901.08 | J/mol×K | 679.44 | Joback Calculated Property |
| Cp,gas | 922.65 | J/mol×K | 706.64 | Joback Calculated Property |
| Cp,gas | 943.32 | J/mol×K | 733.85 | Joback Calculated Property |
| Cp,gas | 963.10 | J/mol×K | 761.05 | Joback Calculated Property |
| Cp,gas | 982.02 | J/mol×K | 788.26 | Joback Calculated Property |
| Cp,gas | 1000.12 | J/mol×K | 815.46 | Joback Calculated Property |
| Cp,gas | 1017.42 | J/mol×K | 842.66 | Joback Calculated Property |
| η | [0.0000795; 0.0045387] | Pa×s | [311.43; 679.44] |
|
| η | 0.0045387 | Pa×s | 311.43 | Joback Calculated Property |
| η | 0.0013283 | Pa×s | 372.76 | Joback Calculated Property |
| η | 0.0005501 | Pa×s | 434.10 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 495.44 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 556.77 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 618.11 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 679.44 | Joback Calculated Property |
| ΔvapH | 74.50 | kJ/mol | 548.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [478.04; 651.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.91820e+01 | |||
| Coefficient B | -9.03580e+03 | |||
| Coefficient C | 1.84000e-01 | |||
| Temperature range, min. | 478.04 | |||
| Temperature range, max. | 651.25 | |||
| Pvap | 1.33 | kPa | 478.04 | Calculated Property |
| Pvap | 2.77 | kPa | 497.29 | Calculated Property |
| Pvap | 5.45 | kPa | 516.53 | Calculated Property |
| Pvap | 10.21 | kPa | 535.78 | Calculated Property |
| Pvap | 18.31 | kPa | 555.02 | Calculated Property |
| Pvap | 31.58 | kPa | 574.27 | Calculated Property |
| Pvap | 52.59 | kPa | 593.51 | Calculated Property |
| Pvap | 84.81 | kPa | 612.76 | Calculated Property |
| Pvap | 132.84 | kPa | 632.00 | Calculated Property |
| Pvap | 202.63 | kPa | 651.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosane, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.