- InChI
- InChI=1S/C13H24O5/c1-10(2)6-17-11(14)7-16-8-12(15)18-9-13(3,4)5/h10H,6-9H2,1-5H3
- InChI Key
- JWUXQOVRODNNGU-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CC(C)COC(=O)COCC(=O)OCC(C)(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° | -513.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -947.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.57 | kJ/mol | Joback Calculated Property |
| log10WS | -1.59 | Crippen Calculated Property | |
| logPoct/wat | 1.791 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | [1960.00; 1960.00] |
|
|
| Inp | 1960.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Tboil | 668.17 | K | Joback Calculated Property |
| Tc | 854.57 | K | Joback Calculated Property |
| Tfus | 390.24 | K | Joback Calculated Property |
| Vc | 0.812 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.63; 681.38] | J/mol×K | [668.17; 854.57] |
|
| Cp,gas | 599.63 | J/mol×K | 668.17 | Joback Calculated Property |
| Cp,gas | 615.26 | J/mol×K | 699.24 | Joback Calculated Property |
| Cp,gas | 630.08 | J/mol×K | 730.30 | Joback Calculated Property |
| Cp,gas | 644.10 | J/mol×K | 761.37 | Joback Calculated Property |
| Cp,gas | 657.32 | J/mol×K | 792.44 | Joback Calculated Property |
| Cp,gas | 669.74 | J/mol×K | 823.51 | Joback Calculated Property |
| Cp,gas | 681.38 | J/mol×K | 854.57 | Joback Calculated Property |
| η | [0.0000830; 0.0014313] | Pa×s | [390.24; 668.17] |
|
| η | 0.0014313 | Pa×s | 390.24 | Joback Calculated Property |
| η | 0.0006922 | Pa×s | 436.56 | Joback Calculated Property |
| η | 0.0003849 | Pa×s | 482.88 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 529.21 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 575.53 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 621.85 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 668.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl neopentyl ester.
Sources
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