- InChI
- InChI=1S/C20H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h20H,4-19H2,1-3H3
- InChI Key
- YURMTKBNIXEQDJ-UHFFFAOYSA-N
- Formula
- C20H42O2
- SMILES
- CCCCCCCCCCCCCCCC(OCC)OCC
- Molecular Weight1
- 314.55
- 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).
- 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 | 0.8877 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.867 | Crippen Calculated Property | |
| McVol | 304.400 | ml/mol | McGowan Calculated Property |
| Pc | 998.91 | kPa | Joback Calculated Property |
| I | [2231.00; 2231.00] |
|
|
| I | 2231.00 | NIST | |
| I | 2231.00 | NIST | |
| Tboil | 590.57 | K | Relay (1.0) Calculated Property |
| Tc | 750.96 | K | Relay (1.0) Calculated Property |
| Tfus | 260.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.193 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.25; 1088.69] | 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 | 3.40260e+01 | |||
| Coefficient B | 1.78336e+00 | |||
| Coefficient C | -8.45400e-04 | |||
| Coefficient D | 1.16700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 460.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 658.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 821.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 890.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 950.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1003.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1049.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1088.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020434; 0.0000916] | Pa×s | [344.62; 607.00] |
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 | -1.33768e+01 | |||
| Coefficient B | 2.47564e+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. | 344.62 | |||
| Temperature range, max. | 607.00 | |||
| η | 0.0020434 | Pa×s | 344.62 | Calculated Property |
| η | 0.0011668 | Pa×s | 373.77 | Calculated Property |
| η | 0.0007226 | Pa×s | 402.93 | Calculated Property |
| η | 0.0004774 | Pa×s | 432.08 | Calculated Property |
| η | 0.0003323 | Pa×s | 461.23 | Calculated Property |
| η | 0.0002415 | Pa×s | 490.39 | Calculated Property |
| η | 0.0001820 | Pa×s | 519.54 | Calculated Property |
| η | 0.0001413 | Pa×s | 548.69 | Calculated Property |
| η | 0.0001125 | Pa×s | 577.84 | Calculated Property |
| η | 0.0000916 | Pa×s | 607.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-diethoxyhexadecane.
Sources
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