- InChI
- InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3
- InChI Key
- OSJUENOXPFOHLF-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 310.60
- CAS
- 6418-47-9
- Other Names
-
- 3-Methylheneicosane
- 3-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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.8902 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | 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 | [2168.50; 2174.30] |
|
|
| Inp | 2172.00 | NIST | |
| Inp | Outlier 2168.50 | NIST | |
| Inp | 2171.30 | NIST | |
| Inp | 2171.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2174.30 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Ip | 2169.30 | NIST | |
| Tboil | 590.09 | K | Relay (1.0) Calculated Property |
| Tc | 762.63 | K | Relay (1.0) Calculated Property |
| Tfus | 292.80 ± 2.00 | K | NIST |
| Vc | 1.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 74.40 | kJ/mol | 557.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.87; 1154.87] | 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 | -1.87920e+01 | |||
| Coefficient B | 2.09976e+00 | |||
| Coefficient C | -1.17620e-03 | |||
| Coefficient D | 2.50100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 471.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 587.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 692.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 785.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 867.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 941.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1005.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1062.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1111.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1154.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086414; 0.0001197] | Pa×s | [292.80; 607.25] |
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 | -1.30155e+01 | |||
| Coefficient B | 2.41978e+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. | 292.80 | |||
| Temperature range, max. | 607.25 | |||
| η | 0.0086414 | Pa×s | 292.80 | Calculated Property |
| η | 0.0035806 | Pa×s | 327.74 | Calculated Property |
| η | 0.0017582 | Pa×s | 362.68 | Calculated Property |
| η | 0.0009782 | Pa×s | 397.62 | Calculated Property |
| η | 0.0005984 | Pa×s | 432.56 | Calculated Property |
| η | 0.0003939 | Pa×s | 467.50 | Calculated Property |
| η | 0.0002748 | Pa×s | 502.44 | Calculated Property |
| η | 0.0002009 | Pa×s | 537.37 | Calculated Property |
| η | 0.0001526 | Pa×s | 572.31 | Calculated Property |
| η | 0.0001197 | Pa×s | 607.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosane, 3-methyl-.
Sources
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