- InChI
- InChI=1S/C27H52O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-31-26(28)23-30-24-27(29)32-25(20-6-3)21-8-5-2/h25H,4-24H2,1-3H3
- InChI Key
- VMVBARQWFGNANS-UHFFFAOYSA-N
- Formula
- C27H52O5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)COCC(=O)O
C(CCC)CCCC - Molecular Weight1
- 456.70
- 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° | -398.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 7.539 | Crippen Calculated Property | |
| McVol | 412.040 | ml/mol | McGowan Calculated Property |
| Pc | 719.91 | kPa | Joback Calculated Property |
| Inp | [3657.00; 3657.00] |
|
|
| Inp | 3657.00 | NIST | |
| Inp | 3657.00 | NIST | |
| Tboil | 991.72 | K | Joback Calculated Property |
| Tc | 1229.04 | K | Joback Calculated Property |
| Tfus | 545.60 | K | Joback Calculated Property |
| Vc | 1.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1441.72; 1538.45] | J/mol×K | [991.72; 1229.04] |
|
| Cp,gas | 1441.72 | J/mol×K | 991.72 | Joback Calculated Property |
| Cp,gas | 1463.04 | J/mol×K | 1031.27 | Joback Calculated Property |
| Cp,gas | 1482.22 | J/mol×K | 1070.83 | Joback Calculated Property |
| Cp,gas | 1499.30 | J/mol×K | 1110.38 | Joback Calculated Property |
| Cp,gas | 1514.33 | J/mol×K | 1149.93 | Joback Calculated Property |
| Cp,gas | 1527.37 | J/mol×K | 1189.49 | Joback Calculated Property |
| Cp,gas | 1538.45 | J/mol×K | 1229.04 | Joback Calculated Property |
| η | [0.0000123; 0.0002711] | Pa×s | [545.60; 991.72] |
|
| η | 0.0002711 | Pa×s | 545.60 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 619.95 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 694.31 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 768.66 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 843.01 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 917.37 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 991.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, oct-4-yl pentadecyl ester.
Sources
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