- InChI
- InChI=1S/C21H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h3-21H2,1-2H3
- InChI Key
- XIHDFPHFJXUOQA-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCCCCCCCCCOCCC
- Molecular Weight1
- 312.58
- 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 | 0.9513 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.675 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 592.17 | K | Relay (1.0) Calculated Property |
| Tc | 767.94 | K | Relay (1.0) Calculated Property |
| Tfus | 286.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.59; 1049.69] | J/mol×K | [702.50; 866.58] |
|
| Cp,gas | 935.59 | J/mol×K | 702.50 | Joback Calculated Property |
| Cp,gas | 956.79 | J/mol×K | 729.85 | Joback Calculated Property |
| Cp,gas | 977.09 | J/mol×K | 757.19 | Joback Calculated Property |
| Cp,gas | 996.51 | J/mol×K | 784.54 | Joback Calculated Property |
| Cp,gas | 1015.07 | J/mol×K | 811.89 | Joback Calculated Property |
| Cp,gas | 1032.79 | J/mol×K | 839.23 | Joback Calculated Property |
| Cp,gas | 1049.69 | J/mol×K | 866.58 | Joback Calculated Property |
| η | [0.0000656; 0.0021329] | Pa×s | [348.66; 702.50] |
|
| η | 0.0021329 | Pa×s | 348.66 | Joback Calculated Property |
| η | 0.0007847 | Pa×s | 407.63 | Joback Calculated Property |
| η | 0.0003717 | Pa×s | 466.61 | Joback Calculated Property |
| η | 0.0002082 | Pa×s | 525.58 | Joback Calculated Property |
| η | 0.0001311 | Pa×s | 584.55 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 643.53 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 702.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecyl propyl ether.
Sources
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