- 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
- 312.57
- 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 | 0.9513 | 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° | 104.55 | 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 | NIST | |
| Tboil | 592.17 | K | Relay (1.0) Calculated Property |
| Tc | 765.56 | K | Relay (1.0) Calculated Property |
| Tfus | 288.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.246 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.43; 1049.54] | J/mol×K | [702.30; 866.33] | 
|
| Cp,gas | 935.43 | J/mol×K | 702.30 | Joback Calculated Property |
| Cp,gas | 956.63 | J/mol×K | 729.64 | Joback Calculated Property |
| Cp,gas | 976.93 | J/mol×K | 756.98 | Joback Calculated Property |
| Cp,gas | 996.35 | J/mol×K | 784.32 | Joback Calculated Property |
| Cp,gas | 1014.91 | J/mol×K | 811.65 | Joback Calculated Property |
| Cp,gas | 1032.64 | J/mol×K | 838.99 | Joback Calculated Property |
| Cp,gas | 1049.54 | J/mol×K | 866.33 | Joback Calculated Property |
| η | [0.0000657; 0.0021329] | Pa×s | [348.66; 702.30] |
|
| η | 0.0021329 | Pa×s | 348.66 | Joback Calculated Property |
| η | 0.0007851 | Pa×s | 407.60 | Joback Calculated Property |
| η | 0.0003720 | Pa×s | 466.54 | Joback Calculated Property |
| η | 0.0002084 | Pa×s | 525.48 | Joback Calculated Property |
| η | 0.0001312 | Pa×s | 584.42 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 643.36 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 702.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecyl propyl ether.
Sources
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