- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.69; 1114.63] | J/mol×K | [724.94; 892.41] | 
|
| Cp,gas | 997.69 | J/mol×K | 724.94 | Joback Calculated Property |
| Cp,gas | 1019.53 | J/mol×K | 752.85 | Joback Calculated Property |
| Cp,gas | 1040.39 | J/mol×K | 780.76 | Joback Calculated Property |
| Cp,gas | 1060.31 | J/mol×K | 808.67 | Joback Calculated Property |
| Cp,gas | 1079.31 | J/mol×K | 836.58 | Joback Calculated Property |
| Cp,gas | 1097.40 | J/mol×K | 864.49 | Joback Calculated Property |
| Cp,gas | 1114.63 | J/mol×K | 892.41 | Joback Calculated Property |
| η | [0.0000530; 0.0025238] | Pa×s | [344.93; 724.94] |
|
| η | 0.0025238 | Pa×s | 344.93 | Joback Calculated Property |
| η | 0.0008046 | Pa×s | 408.26 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 471.60 | Joback Calculated Property |
| η | 0.0001842 | Pa×s | 534.94 | Joback Calculated Property |
| η | 0.0001114 | Pa×s | 598.27 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 661.61 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 724.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl octadecyl ether.
Sources
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