- InChI
- InChI=1S/C22H46O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- WEDBUFYGSUBRTJ-UHFFFAOYSA-N
- Formula
- C22H46O
- SMILES
- CCCCCCCCCCCCCCCCCCOCC(C)C
- Molecular Weight1
- 326.60
- 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 | 0.9671 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.920 | Crippen Calculated Property | |
| McVol | 326.710 | ml/mol | McGowan Calculated Property |
| Pc | 896.95 | kPa | Joback Calculated Property |
| Inp | 2227.00 | NIST | |
| Tboil | 600.46 | K | Relay (1.0) Calculated Property |
| Tc | 777.06 | K | Relay (1.0) Calculated Property |
| Tfus | 277.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.286 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.27; 1173.37] | 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 | 6.70800e+00 | |||
| Coefficient B | 2.03656e+00 | |||
| Coefficient C | -1.06520e-03 | |||
| Coefficient D | 1.95300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 487.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 602.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 706.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 800.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 883.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 957.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1023.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1080.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1130.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1173.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025238; 0.0000931] | Pa×s | [344.93; 624.68] |
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 | -1.33512e+01 | |||
| Coefficient B | 2.54187e+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. | 344.93 | |||
| Temperature range, max. | 624.68 | |||
| η | 0.0025238 | Pa×s | 344.93 | Calculated Property |
| η | 0.0013724 | Pa×s | 376.01 | Calculated Property |
| η | 0.0008191 | Pa×s | 407.10 | Calculated Property |
| η | 0.0005260 | Pa×s | 438.18 | Calculated Property |
| η | 0.0003582 | Pa×s | 469.26 | Calculated Property |
| η | 0.0002558 | Pa×s | 500.35 | Calculated Property |
| η | 0.0001901 | Pa×s | 531.43 | Calculated Property |
| η | 0.0001459 | Pa×s | 562.52 | Calculated Property |
| η | 0.0001152 | Pa×s | 593.60 | Calculated Property |
| η | 0.0000931 | Pa×s | 624.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl octadecyl ether.
Sources
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