- InChI
- InChI=1S/C33H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-35-33-30-32-34-4-2/h3-33H2,1-2H3
- InChI Key
- ATIZFDSCPHCBMK-UHFFFAOYSA-N
- Formula
- C33H68O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
CCOCC - Molecular Weight1
- 496.89
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -988.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.87 | kJ/mol | Joback Calculated Property |
| log10WS | -11.81 | Crippen Calculated Property | |
| logPoct/wat | 11.592 | Crippen Calculated Property | |
| McVol | 487.570 | ml/mol | McGowan Calculated Property |
| Pc | 511.87 | kPa | Joback Calculated Property |
| Inp | [3357.00; 3357.00] |
|
|
| Inp | 3357.00 | NIST | |
| Inp | 3357.00 | NIST | |
| Tboil | 999.28 | K | Joback Calculated Property |
| Tc | 1265.69 | K | Joback Calculated Property |
| Tfus | 506.13 | K | Joback Calculated Property |
| Vc | 1.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1758.31; 1905.92] | J/mol×K | [999.28; 1265.69] |
|
| Cp,gas | 1758.31 | J/mol×K | 999.28 | Joback Calculated Property |
| Cp,gas | 1789.31 | J/mol×K | 1043.68 | Joback Calculated Property |
| Cp,gas | 1817.57 | J/mol×K | 1088.08 | Joback Calculated Property |
| Cp,gas | 1843.21 | J/mol×K | 1132.48 | Joback Calculated Property |
| Cp,gas | 1866.39 | J/mol×K | 1176.89 | Joback Calculated Property |
| Cp,gas | 1887.24 | J/mol×K | 1221.29 | Joback Calculated Property |
| Cp,gas | 1905.92 | J/mol×K | 1265.69 | Joback Calculated Property |
| η | [0.0000082; 0.0002924] | Pa×s | [506.13; 999.28] |
|
| η | 0.0002924 | Pa×s | 506.13 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 588.32 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 670.51 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 752.70 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 834.90 | Joback Calculated Property |
| η | 0.0000114 | Pa×s | 917.09 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 999.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl octacosyl ether.
Sources
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