- InChI
- InChI=1S/C22H46/c1-5-9-11-12-13-14-15-16-17-19-21-22(7-3,8-4)20-18-10-6-2/h5-21H2,1-4H3
- InChI Key
- GMZYILNPDQRDQY-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCCCCCCC(CC)(CC)CCCCC
- Molecular Weight1
- 310.61
- Other Names
-
- 6,6-Diethyloctadecane
- 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 | 0.8171 | Relay (1.0) Calculated Property | |
| ΔfG° | 137.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.684 | Crippen Calculated Property | |
| McVol | 320.840 | ml/mol | McGowan Calculated Property |
| Pc | 912.18 | kPa | Joback Calculated Property |
| Inp | [2094.00; 2094.00] |
|
|
| Inp | 2094.00 | NIST | |
| Inp | 2094.00 | NIST | |
| Tboil | 590.64 | K | Relay (1.0) Calculated Property |
| Tc | 769.91 | K | Relay (1.0) Calculated Property |
| Tfus | 234.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.203 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.72; 1155.80] | 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 | -4.15830e+01 | |||
| Coefficient B | 2.21968e+00 | |||
| Coefficient C | -1.34480e-03 | |||
| Coefficient D | 3.22500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 470.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 589.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 695.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 789.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 872.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 944.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1008.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1064.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1112.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1155.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033295; 0.0001124] | Pa×s | [340.12; 606.82] |
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 | -1.34155e+01 | |||
| Coefficient B | 2.62250e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 340.12 | |||
| Temperature range, max. | 606.82 | |||
| η | 0.0033295 | Pa×s | 340.12 | Calculated Property |
| η | 0.0017948 | Pa×s | 369.75 | Calculated Property |
| η | 0.0010604 | Pa×s | 399.39 | Calculated Property |
| η | 0.0006737 | Pa×s | 429.02 | Calculated Property |
| η | 0.0004539 | Pa×s | 458.65 | Calculated Property |
| η | 0.0003208 | Pa×s | 488.28 | Calculated Property |
| η | 0.0002359 | Pa×s | 517.92 | Calculated Property |
| η | 0.0001794 | Pa×s | 547.55 | Calculated Property |
| η | 0.0001403 | Pa×s | 577.18 | Calculated Property |
| η | 0.0001124 | Pa×s | 606.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,6-Diethylhoctadecane.
Sources
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