- InChI
- InChI=1S/C27H52O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-25(28)22-30-23-26(29)32-21-24(2)20-27(3,4)5/h24H,6-23H2,1-5H3
- InChI Key
- JOKDPBYKKFGXDL-UHFFFAOYSA-N
- Formula
- C27H52O5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)COCC(=O)O
CC(C)CC(C)(C)C - 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° | -395.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1236.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.45 | Crippen Calculated Property | |
| logPoct/wat | 7.253 | Crippen Calculated Property | |
| McVol | 412.040 | ml/mol | McGowan Calculated Property |
| Pc | 727.31 | kPa | Joback Calculated Property |
| Inp | 3658.00 | NIST | |
| Tboil | 988.49 | K | Joback Calculated Property |
| Tc | 1219.20 | K | Joback Calculated Property |
| Tfus | 548.02 | K | Joback Calculated Property |
| Vc | 1.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1441.38; 1539.76] | J/mol×K | [988.49; 1219.20] | 
|
| Cp,gas | 1441.38 | J/mol×K | 988.49 | Joback Calculated Property |
| Cp,gas | 1462.25 | J/mol×K | 1026.94 | Joback Calculated Property |
| Cp,gas | 1481.25 | J/mol×K | 1065.39 | Joback Calculated Property |
| Cp,gas | 1498.43 | J/mol×K | 1103.85 | Joback Calculated Property |
| Cp,gas | 1513.86 | J/mol×K | 1142.30 | Joback Calculated Property |
| Cp,gas | 1527.61 | J/mol×K | 1180.75 | Joback Calculated Property |
| Cp,gas | 1539.76 | J/mol×K | 1219.20 | Joback Calculated Property |
| η | [0.0000093; 0.0002391] | Pa×s | [548.02; 988.49] |
|
| η | 0.0002391 | Pa×s | 548.02 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 621.43 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 694.84 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 768.25 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 841.67 | Joback Calculated Property |
| η | 0.0000129 | Pa×s | 915.08 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 988.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentadecyl 2,4,4-trimethylpentyl ester.
Sources
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