- InChI
- InChI=1S/C13H24O5/c1-4-5-7-17-12(14)9-16-10-13(15)18-8-6-11(2)3/h11H,4-10H2,1-3H3
- InChI Key
- QWRGQEXIWNFDBS-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CCCCOC(=O)COCC(=O)OCCC(C)C
- Molecular Weight1
- 260.33
- 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° | -516.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.936 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [2101.00; 2101.00] |
|
|
| Inp | 2101.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Tboil | 671.40 | K | Joback Calculated Property |
| Tc | 850.36 | K | Joback Calculated Property |
| Tfus | 387.82 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.96; 677.33] | J/mol×K | [671.40; 850.36] |
|
| Cp,gas | 596.96 | J/mol×K | 671.40 | Joback Calculated Property |
| Cp,gas | 612.15 | J/mol×K | 701.23 | Joback Calculated Property |
| Cp,gas | 626.63 | J/mol×K | 731.05 | Joback Calculated Property |
| Cp,gas | 640.40 | J/mol×K | 760.88 | Joback Calculated Property |
| Cp,gas | 653.44 | J/mol×K | 790.71 | Joback Calculated Property |
| Cp,gas | 665.75 | J/mol×K | 820.53 | Joback Calculated Property |
| Cp,gas | 677.33 | J/mol×K | 850.36 | Joback Calculated Property |
| η | [0.0000971; 0.0013703] | Pa×s | [387.82; 671.40] |
|
| η | 0.0013703 | Pa×s | 387.82 | Joback Calculated Property |
| η | 0.0006936 | Pa×s | 435.08 | Joback Calculated Property |
| η | 0.0004012 | Pa×s | 482.35 | Joback Calculated Property |
| η | 0.0002559 | Pa×s | 529.61 | Joback Calculated Property |
| η | 0.0001757 | Pa×s | 576.87 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 624.14 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 671.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 3-methylbutyl ester.
Sources
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