- InChI
- InChI=1S/C21H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-19-20(24-3)18-23-2/h20H,4-19H2,1-3H3
- InChI Key
- UELIEEDDIWUFDH-UHFFFAOYSA-N
- Formula
- C21H42O4
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(COC)OC
- Molecular Weight1
- 358.56
- 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 | 1.0248 | Relay (... Calculated Property | |
| ΔfG° | -320.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1015.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 5.672 | Crippen Calculated Property | |
| McVol | 325.930 | ml/mol | McGowan Calculated Property |
| Pc | 968.07 | kPa | Joback Calculated Property |
| Inp | [2271.00; 2271.00] |
|
|
| Inp | 2271.00 | NIST | |
| Inp | 2271.00 | NIST | |
| Tboil | 623.68 | K | Relay (... Calculated Property |
| Tc | 797.95 | K | Relay (... Calculated Property |
| Tfus | 291.74 | K | Relay (... Calculated Property |
| Vc | 1.245 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.38; 1139.40] | J/mol×K | [800.57; 981.43] |
|
| Cp,gas | 1036.38 | J/mol×K | 800.57 | Joback Calculated Property |
| Cp,gas | 1056.28 | J/mol×K | 830.71 | Joback Calculated Property |
| Cp,gas | 1075.08 | J/mol×K | 860.86 | Joback Calculated Property |
| Cp,gas | 1092.78 | J/mol×K | 891.00 | Joback Calculated Property |
| Cp,gas | 1109.39 | J/mol×K | 921.14 | Joback Calculated Property |
| Cp,gas | 1124.93 | J/mol×K | 951.29 | Joback Calculated Property |
| Cp,gas | 1139.40 | J/mol×K | 981.43 | Joback Calculated Property |
| η | [0.0000332; 0.0008104] | Pa×s | [428.05; 800.57] |
|
| η | 0.0008104 | Pa×s | 428.05 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 490.14 | Joback Calculated Property |
| η | 0.0001731 | Pa×s | 552.22 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 614.31 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 676.40 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 738.48 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 800.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycerol, 2,3-dimethyl, 1-hexadecanoate.
Sources
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