- InChI
- InChI=1S/C21H44O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- DCZWEVHGJXFVJU-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCCCCCCCCCOC(C)C
- Molecular Weight1
- 312.57
- 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 | 0.9156 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.673 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 950.84 | kPa | Joback Calculated Property |
| Inp | 2125.00 | NIST | |
| Tboil | 586.74 | K | Relay (1.0) Calculated Property |
| Tc | 757.15 | K | Relay (1.0) Calculated Property |
| Tfus | 290.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.242 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.96; 1050.86] | J/mol×K | [702.06; 867.32] | 
|
| Cp,gas | 935.96 | J/mol×K | 702.06 | Joback Calculated Property |
| Cp,gas | 957.34 | J/mol×K | 729.60 | Joback Calculated Property |
| Cp,gas | 977.80 | J/mol×K | 757.15 | Joback Calculated Property |
| Cp,gas | 997.36 | J/mol×K | 784.69 | Joback Calculated Property |
| Cp,gas | 1016.04 | J/mol×K | 812.23 | Joback Calculated Property |
| Cp,gas | 1033.87 | J/mol×K | 839.77 | Joback Calculated Property |
| Cp,gas | 1050.86 | J/mol×K | 867.32 | Joback Calculated Property |
| η | [0.0000607; 0.0028507] | Pa×s | [333.66; 702.06] |
|
| η | 0.0028507 | Pa×s | 333.66 | Joback Calculated Property |
| η | 0.0009116 | Pa×s | 395.06 | Joback Calculated Property |
| η | 0.0003961 | Pa×s | 456.46 | Joback Calculated Property |
| η | 0.0002098 | Pa×s | 517.86 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 579.26 | Joback Calculated Property |
| η | 0.0000848 | Pa×s | 640.66 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 702.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl octadecyl ether.
Sources
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