- InChI
- InChI=1S/C21H40O5/c1-6-7-8-9-10-11-12-13-25-19(22)16-24-17-20(23)26-15-18(2)14-21(3,4)5/h18H,6-17H2,1-5H3
- InChI Key
- QFRGYYUUHAYZAR-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCC(C)C
C(C)(C)C - Molecular Weight1
- 372.54
- 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° | -446.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1112.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.912 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1019.43 | kPa | Joback Calculated Property |
| Inp | [2937.00; 2937.00] |
|
|
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Tboil | 851.21 | K | Joback Calculated Property |
| Tc | 1043.75 | K | Joback Calculated Property |
| Tfus | 480.40 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.19; 1155.70] | J/mol×K | [851.21; 1043.75] |
|
| Cp,gas | 1063.19 | J/mol×K | 851.21 | Joback Calculated Property |
| Cp,gas | 1081.54 | J/mol×K | 883.30 | Joback Calculated Property |
| Cp,gas | 1098.68 | J/mol×K | 915.39 | Joback Calculated Property |
| Cp,gas | 1114.64 | J/mol×K | 947.48 | Joback Calculated Property |
| Cp,gas | 1129.44 | J/mol×K | 979.57 | Joback Calculated Property |
| Cp,gas | 1143.12 | J/mol×K | 1011.66 | Joback Calculated Property |
| Cp,gas | 1155.70 | J/mol×K | 1043.75 | Joback Calculated Property |
| η | [0.0000248; 0.0005533] | Pa×s | [480.40; 851.21] |
|
| η | 0.0005533 | Pa×s | 480.40 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 542.20 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 604.00 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 665.81 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 727.61 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 789.41 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 851.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, nonyl 2,4,4-trimethylpentyl ester.
Sources
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