- InChI
- InChI=1S/C26H54O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-25-6-4-2/h3-26H2,1-2H3
- InChI Key
- BATGFXRKHSIQIS-UHFFFAOYSA-N
- Formula
- C26H54O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOCCCC
- Molecular Weight1
- 382.72
- 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 | 1.1297 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.625 | Crippen Calculated Property | |
| McVol | 383.070 | ml/mol | McGowan Calculated Property |
| Pc | 718.37 | kPa | Joback Calculated Property |
| Inp | [2673.00; 2673.00] |
|
|
| Inp | 2673.00 | NIST | |
| Inp | 2673.00 | NIST | |
| Tboil | 622.31 | K | Relay (1.0) Calculated Property |
| Tc | 803.11 | K | Relay (1.0) Calculated Property |
| Tfus | 294.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.526 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.44; 1379.19] | 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 | 4.75400e+00 | |||
| Coefficient B | 2.41064e+00 | |||
| Coefficient C | -1.27960e-03 | |||
| Coefficient D | 2.43400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 572.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 708.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 830.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 940.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1038.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1125.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1202.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1269.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1328.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1379.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011802; 0.0000588] | Pa×s | [405.01; 700.30] |
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 | -1.38547e+01 | |||
| Coefficient B | 2.88069e+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. | 405.01 | |||
| Temperature range, max. | 700.30 | |||
| η | 0.0011802 | Pa×s | 405.01 | Calculated Property |
| η | 0.0006926 | Pa×s | 437.82 | Calculated Property |
| η | 0.0004378 | Pa×s | 470.63 | Calculated Property |
| η | 0.0002938 | Pa×s | 503.44 | Calculated Property |
| η | 0.0002070 | Pa×s | 536.25 | Calculated Property |
| η | 0.0001519 | Pa×s | 569.06 | Calculated Property |
| η | 0.0001152 | Pa×s | 601.87 | Calculated Property |
| η | 0.0000900 | Pa×s | 634.68 | Calculated Property |
| η | 0.0000720 | Pa×s | 667.49 | Calculated Property |
| η | 0.0000588 | Pa×s | 700.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyl docosyl ether.
Sources
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