- InChI
- InChI=1S/C28H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29-27-25-23-10-8-6-4-2/h3-28H2,1-2H3
- InChI Key
- JRWROQIFZUYCIY-UHFFFAOYSA-N
- Formula
- C28H58O
- SMILES
- CCCCCCCCCCCCCCCCCCCCOCCCCCCCC
- Molecular Weight1
- 410.77
- 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 | 1.2018 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.405 | Crippen Calculated Property | |
| McVol | 411.250 | ml/mol | McGowan Calculated Property |
| Pc | 649.78 | kPa | Joback Calculated Property |
| Inp | [2860.00; 2860.00] |
|
|
| Inp | 2860.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Tboil | 634.89 | K | Relay (1.0) Calculated Property |
| Tc | 816.56 | K | Relay (1.0) Calculated Property |
| Tfus | 301.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.637 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.87; 1482.38] | 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 | 2.93600e+00 | |||
| Coefficient B | 2.60064e+00 | |||
| Coefficient C | -1.38840e-03 | |||
| Coefficient D | 2.67200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 614.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 892.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1010.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1116.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1210.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1292.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1364.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1427.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1482.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009084; 0.0000434] | Pa×s | [427.55; 741.94] |
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 | -1.41820e+01 | |||
| Coefficient B | 3.06901e+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. | 427.55 | |||
| Temperature range, max. | 741.94 | |||
| η | 0.0009084 | Pa×s | 427.55 | Calculated Property |
| η | 0.0005282 | Pa×s | 462.48 | Calculated Property |
| η | 0.0003315 | Pa×s | 497.41 | Calculated Property |
| η | 0.0002211 | Pa×s | 532.35 | Calculated Property |
| η | 0.0001550 | Pa×s | 567.28 | Calculated Property |
| η | 0.0001133 | Pa×s | 602.21 | Calculated Property |
| η | 0.0000857 | Pa×s | 637.14 | Calculated Property |
| η | 0.0000667 | Pa×s | 672.07 | Calculated Property |
| η | 0.0000532 | Pa×s | 707.00 | Calculated Property |
| η | 0.0000434 | Pa×s | 741.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosyl octyl ether.
Sources
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