- InChI
- InChI=1S/C16H30O5/c1-12(2)8-20-14(17)10-19-11-15(18)21-9-13(3)7-16(4,5)6/h12-13H,7-11H2,1-6H3
- InChI Key
- IXSSWDGPHCXOGO-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CC(C)COC(=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° | -491.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.818 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1430.46 | kPa | Joback Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 736.37 | K | Joback Calculated Property |
| Tc | 922.89 | K | Joback Calculated Property |
| Tfus | 409.05 | K | Joback Calculated Property |
| Vc | 0.975 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.52; 854.24] | J/mol×K | [736.37; 922.89] |
|
| Cp,gas | 766.52 | J/mol×K | 736.37 | Joback Calculated Property |
| Cp,gas | 783.51 | J/mol×K | 767.46 | Joback Calculated Property |
| Cp,gas | 799.54 | J/mol×K | 798.54 | Joback Calculated Property |
| Cp,gas | 814.61 | J/mol×K | 829.63 | Joback Calculated Property |
| Cp,gas | 828.75 | J/mol×K | 860.71 | Joback Calculated Property |
| Cp,gas | 841.95 | J/mol×K | 891.80 | Joback Calculated Property |
| Cp,gas | 854.24 | J/mol×K | 922.89 | Joback Calculated Property |
| η | [0.0000495; 0.0012784] | Pa×s | [409.05; 736.37] |
|
| η | 0.0012784 | Pa×s | 409.05 | Joback Calculated Property |
| η | 0.0005406 | Pa×s | 463.60 | Joback Calculated Property |
| η | 0.0002740 | Pa×s | 518.16 | Joback Calculated Property |
| η | 0.0001581 | Pa×s | 572.71 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 627.26 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 681.82 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 736.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2,4,4-trimethylpentyl ester.
Sources
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