- InChI
- InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
- InChI Key
- ZQBULZYTDGUSSK-UHFFFAOYSA-N
- Formula
- C19H36O5
- SMILES
-
CCCCCCCC(=O)OCC(CO)OC(=O)CCCCC
CC - Molecular Weight1
- 344.49
- CAS
- 1069-87-0
- 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° | -498.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1082.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.155 | Crippen Calculated Property | |
| McVol | 299.320 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | [2359.30; 2359.30] |
|
|
| Inp | 2359.30 | NIST | |
| Inp | 2359.30 | NIST | |
| Tboil | 878.44 | K | Joback Calculated Property |
| Tc | 1075.60 | K | Joback Calculated Property |
| Tfus | 494.03 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [979.17; 1060.34] | J/mol×K | [878.44; 1075.60] |
|
| Cp,gas | 979.17 | J/mol×K | 878.44 | Joback Calculated Property |
| Cp,gas | 995.44 | J/mol×K | 911.30 | Joback Calculated Property |
| Cp,gas | 1010.59 | J/mol×K | 944.16 | Joback Calculated Property |
| Cp,gas | 1024.63 | J/mol×K | 977.02 | Joback Calculated Property |
| Cp,gas | 1037.59 | J/mol×K | 1009.88 | Joback Calculated Property |
| Cp,gas | 1049.49 | J/mol×K | 1042.74 | Joback Calculated Property |
| Cp,gas | 1060.34 | J/mol×K | 1075.60 | Joback Calculated Property |
| η | [0.0000083; 0.0004866] | Pa×s | [494.03; 878.44] |
|
| η | 0.0004866 | Pa×s | 494.03 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 558.10 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 622.17 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 686.24 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 750.30 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 814.37 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 878.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dioctanoin.
Sources
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