- InChI
- InChI=1S/C21H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22-5-2)23-6-3/h21H,4-20H2,1-3H3
- InChI Key
- QJKRDGVHGFTSQL-UHFFFAOYSA-N
- Formula
- C21H44O2
- SMILES
- CCCCCCCCCCCCCCCCC(OCC)OCC
- Molecular Weight1
- 328.57
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | -86.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.77 | kJ/mol | Joback Calculated Property |
| log10WS | -7.39 | Crippen Calculated Property | |
| logPoct/wat | 7.257 | Crippen Calculated Property | |
| McVol | 318.490 | ml/mol | McGowan Calculated Property |
| Pc | 940.95 | kPa | Joback Calculated Property |
| I | [2347.00; 2347.00] |
|
|
| I | 2347.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | 724.28 | K | Joback Calculated Property |
| Tc | 891.91 | K | Joback Calculated Property |
| Tfus | 355.89 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.42; 1083.89] | J/mol×K | [724.28; 891.91] |
|
| Cp,gas | 970.42 | J/mol×K | 724.28 | Joback Calculated Property |
| Cp,gas | 991.65 | J/mol×K | 752.22 | Joback Calculated Property |
| Cp,gas | 1011.94 | J/mol×K | 780.16 | Joback Calculated Property |
| Cp,gas | 1031.29 | J/mol×K | 808.09 | Joback Calculated Property |
| Cp,gas | 1049.72 | J/mol×K | 836.03 | Joback Calculated Property |
| Cp,gas | 1067.25 | J/mol×K | 863.97 | Joback Calculated Property |
| Cp,gas | 1083.89 | J/mol×K | 891.91 | Joback Calculated Property |
| η | [0.0000461; 0.0018154] | Pa×s | [355.89; 724.28] |
|
| η | 0.0018154 | Pa×s | 355.89 | Joback Calculated Property |
| η | 0.0006274 | Pa×s | 417.29 | Joback Calculated Property |
| η | 0.0002848 | Pa×s | 478.69 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 540.09 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 601.48 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 662.88 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 724.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-diethoxyheptadecane.
Sources
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