- InChI
- InChI=1S/C20H42/c1-5-9-11-12-13-14-15-17-19-20(7-3,8-4)18-16-10-6-2/h5-19H2,1-4H3
- InChI Key
- DBQGQSCHJJUMOP-UHFFFAOYSA-N
- Formula
- C20H42
- SMILES
- CCCCCCCCCCC(CC)(CC)CCCCC
- Molecular Weight1
- 282.55
- 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 | 0.7469 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.904 | Crippen Calculated Property | |
| McVol | 292.660 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | 1894.00 | NIST | |
| Tboil | 576.88 | K | Relay (1.0) Calculated Property |
| Tc | 753.79 | K | Relay (1.0) Calculated Property |
| Tfus | 228.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.089 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.30; 1052.62] | 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 | -3.97650e+01 | |||
| Coefficient B | 2.02968e+00 | |||
| Coefficient C | -1.23600e-03 | |||
| Coefficient D | 2.98700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 428.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 536.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 633.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 718.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 794.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 860.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 918.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 969.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1013.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1052.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043077; 0.0001410] | Pa×s | [317.58; 573.42] |
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 | -1.31121e+01 | |||
| Coefficient B | 2.43418e+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. | 317.58 | |||
| Temperature range, max. | 573.42 | |||
| η | 0.0043077 | Pa×s | 317.58 | Calculated Property |
| η | 0.0022949 | Pa×s | 346.01 | Calculated Property |
| η | 0.0013453 | Pa×s | 374.43 | Calculated Property |
| η | 0.0008504 | Pa×s | 402.86 | Calculated Property |
| η | 0.0005710 | Pa×s | 431.28 | Calculated Property |
| η | 0.0004028 | Pa×s | 459.71 | Calculated Property |
| η | 0.0002959 | Pa×s | 488.14 | Calculated Property |
| η | 0.0002249 | Pa×s | 516.56 | Calculated Property |
| η | 0.0001759 | Pa×s | 544.99 | Calculated Property |
| η | 0.0001410 | Pa×s | 573.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,6-Diethylhexadecane.
Sources
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