- InChI
- InChI=1S/C21H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-18-20-22-4-2/h3-21H2,1-2H3
- InChI Key
- JHCSLWDHWPAAFF-UHFFFAOYSA-N
- Formula
- C21H44O2
- SMILES
- CCCCCCCCCCCCCCCCOCCCOCC
- Molecular Weight1
- 328.58
- 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 | 0.9822 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.911 | Crippen Calculated Property | |
| McVol | 318.490 | ml/mol | McGowan Calculated Property |
| Pc | 936.35 | kPa | Joback Calculated Property |
| Inp | [2176.00; 2176.00] |
|
|
| Inp | 2176.00 | NIST | |
| Inp | 2176.00 | NIST | |
| Tboil | 603.73 | K | Relay (1.0) Calculated Property |
| Tc | 774.88 | K | Relay (1.0) Calculated Property |
| Tfus | 272.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.263 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.18; 1083.04] | J/mol×K | [724.92; 891.65] |
|
| Cp,gas | 970.18 | J/mol×K | 724.92 | Joback Calculated Property |
| Cp,gas | 991.27 | J/mol×K | 752.71 | Joback Calculated Property |
| Cp,gas | 1011.43 | J/mol×K | 780.50 | Joback Calculated Property |
| Cp,gas | 1030.67 | J/mol×K | 808.28 | Joback Calculated Property |
| Cp,gas | 1049.01 | J/mol×K | 836.07 | Joback Calculated Property |
| Cp,gas | 1066.46 | J/mol×K | 863.86 | Joback Calculated Property |
| Cp,gas | 1083.04 | J/mol×K | 891.65 | Joback Calculated Property |
| η | [0.0000499; 0.0013998] | Pa×s | [370.89; 724.92] |
|
| η | 0.0013998 | Pa×s | 370.89 | Joback Calculated Property |
| η | 0.0005484 | Pa×s | 429.89 | Joback Calculated Property |
| η | 0.0002694 | Pa×s | 488.90 | Joback Calculated Property |
| η | 0.0001542 | Pa×s | 547.90 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 606.91 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 665.92 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 724.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl hexadecyl ether.
Sources
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