- InChI
- InChI=1S/C22H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-22(3)20-7-5-2/h22H,4-21H2,1-3H3
- InChI Key
- CCXNGHAFWSFYNV-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCCCCCCCCC(C)CCCC
- Molecular Weight1
- 310.60
- CAS
- 25117-37-7
- Other Names
-
- 5-Methylheneicosane
- 5-Methylhenicosane
- 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).
- Pvap : Vapor 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 | 0.8865 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.684 | Crippen Calculated Property | |
| McVol | 320.840 | ml/mol | McGowan Calculated Property |
| Pc | 906.15 | kPa | Joback Calculated Property |
| Inp | [2146.40; 2153.20] |
|
|
| Inp | 2153.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Inp | Outlier 2146.40 | NIST | |
| Inp | 2151.10 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2151.00 | NIST | |
| Inp | 2151.00 | NIST | |
| Inp | 2153.20 | NIST | |
| Inp | 2151.00 | NIST | |
| Inp | 2151.00 | NIST | |
| I | 2148.50 | NIST | |
| Tboil | 588.40 | K | Relay (1.0) Calculated Property |
| Tc | 759.03 | K | Relay (1.0) Calculated Property |
| Tfus | 277.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.265 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.39; 1080.72] | J/mol×K | [702.32; 867.26] |
|
| Cp,gas | 962.39 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 984.38 | J/mol×K | 729.81 | Joback Calculated Property |
| Cp,gas | 1005.42 | J/mol×K | 757.30 | Joback Calculated Property |
| Cp,gas | 1025.55 | J/mol×K | 784.79 | Joback Calculated Property |
| Cp,gas | 1044.78 | J/mol×K | 812.28 | Joback Calculated Property |
| Cp,gas | 1063.16 | J/mol×K | 839.77 | Joback Calculated Property |
| Cp,gas | 1080.72 | J/mol×K | 867.26 | Joback Calculated Property |
| η | [0.0000698; 0.0040182] | Pa×s | [322.70; 702.32] |
|
| η | 0.0040182 | Pa×s | 322.70 | Joback Calculated Property |
| η | 0.0011754 | Pa×s | 385.97 | Joback Calculated Property |
| η | 0.0004861 | Pa×s | 449.24 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 512.51 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 575.78 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 639.05 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 702.32 | Joback Calculated Property |
| ΔvapH | 73.90 | kJ/mol | 557.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [483.49; 664.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.88529e+01 | |||
| Coefficient B | -9.07172e+03 | |||
| Coefficient C | 5.15000e+00 | |||
| Temperature range, min. | 483.49 | |||
| Temperature range, max. | 664.78 | |||
| Pvap | 1.33 | kPa | 483.49 | Calculated Property |
| Pvap | 2.78 | kPa | 503.63 | Calculated Property |
| Pvap | 5.48 | kPa | 523.78 | Calculated Property |
| Pvap | 10.29 | kPa | 543.92 | Calculated Property |
| Pvap | 18.46 | kPa | 564.06 | Calculated Property |
| Pvap | 31.83 | kPa | 584.21 | Calculated Property |
| Pvap | 52.93 | kPa | 604.35 | Calculated Property |
| Pvap | 85.21 | kPa | 624.49 | Calculated Property |
| Pvap | 133.19 | kPa | 644.64 | Calculated Property |
| Pvap | 202.67 | kPa | 664.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 5-methyl-.
Sources
- Cheméo Relay (1.0)
- 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.