- InChI
- InChI=1S/C22H42O5/c1-6-7-8-9-10-11-12-13-14-26-20(23)17-25-18-21(24)27-16-19(2)15-22(3,4)5/h19H,6-18H2,1-5H3
- InChI Key
- MTSCJTLFZJXXMX-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCCCOC(=O)COCC(=O)OCC(C)
CC(C)(C)C - Molecular Weight1
- 386.57
- 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).
- 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° | -438.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 5.302 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 959.69 | kPa | Joback Calculated Property |
| Inp | [3061.00; 3061.00] |
|
|
| Inp | 3061.00 | NIST | |
| Inp | 3061.00 | NIST | |
| Tboil | 874.09 | K | Joback Calculated Property |
| Tc | 1070.50 | K | Joback Calculated Property |
| Tfus | 491.67 | K | Joback Calculated Property |
| Vc | 1.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1124.91; 1218.40] | J/mol×K | [874.09; 1070.50] |
|
| Cp,gas | 1124.91 | J/mol×K | 874.09 | Joback Calculated Property |
| Cp,gas | 1143.60 | J/mol×K | 906.83 | Joback Calculated Property |
| Cp,gas | 1161.00 | J/mol×K | 939.56 | Joback Calculated Property |
| Cp,gas | 1177.16 | J/mol×K | 972.30 | Joback Calculated Property |
| Cp,gas | 1192.09 | J/mol×K | 1005.03 | Joback Calculated Property |
| Cp,gas | 1205.83 | J/mol×K | 1037.77 | Joback Calculated Property |
| Cp,gas | 1218.40 | J/mol×K | 1070.50 | Joback Calculated Property |
| η | [0.0000211; 0.0004840] | Pa×s | [491.67; 874.09] |
|
| η | 0.0004840 | Pa×s | 491.67 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 555.41 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 619.14 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 682.88 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 746.62 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 810.35 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 874.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, decyl 2,4,4-trimethylpentyl ester.
Sources
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