- InChI
- InChI=1S/C16H30O5/c1-6-7-8-20-14(17)11-19-12-15(18)21-10-13(2)9-16(3,4)5/h13H,6-12H2,1-5H3
- InChI Key
- SGWHYGMUIFVPMJ-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCCCOC(=O)COCC(=O)OCC(C)CC(C)(
C)C - Molecular Weight1
- 302.41
- 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° | -488.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.962 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | [2324.00; 2324.00] |
|
|
| Inp | 2324.00 | NIST | |
| Inp | 2324.00 | NIST | |
| Tboil | 736.81 | K | Joback Calculated Property |
| Tc | 921.18 | K | Joback Calculated Property |
| Tfus | 424.05 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.03; 852.93] | J/mol×K | [736.81; 921.18] |
|
| Cp,gas | 766.03 | J/mol×K | 736.81 | Joback Calculated Property |
| Cp,gas | 782.81 | J/mol×K | 767.54 | Joback Calculated Property |
| Cp,gas | 798.65 | J/mol×K | 798.27 | Joback Calculated Property |
| Cp,gas | 813.57 | J/mol×K | 829.00 | Joback Calculated Property |
| Cp,gas | 827.59 | J/mol×K | 859.72 | Joback Calculated Property |
| Cp,gas | 840.70 | J/mol×K | 890.45 | Joback Calculated Property |
| Cp,gas | 852.93 | J/mol×K | 921.18 | Joback Calculated Property |
| η | [0.0000537; 0.0010322] | Pa×s | [424.05; 736.81] |
|
| η | 0.0010322 | Pa×s | 424.05 | Joback Calculated Property |
| η | 0.0004815 | Pa×s | 476.18 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 528.30 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 580.43 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 632.56 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 684.68 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 736.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2,4,4-trimethylpentyl ester.
Sources
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