- InChI
- InChI=1S/C15H28O5/c1-5-13(4)9-20-15(17)11-18-10-14(16)19-8-6-7-12(2)3/h12-13H,5-11H2,1-4H3
- InChI Key
- AHUIXQXHCCAIBN-UHFFFAOYSA-N
- Formula
- C15H28O5
- SMILES
- CCC(C)COC(=O)COCC(=O)OCCCC(C)C
- Molecular Weight1
- 288.38
- 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° | -502.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.572 | Crippen Calculated Property | |
| McVol | 242.960 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | [2340.00; 2340.00] |
|
|
| Inp | 2340.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Tboil | 716.72 | K | Joback Calculated Property |
| Tc | 897.37 | K | Joback Calculated Property |
| Tfus | 395.36 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.73; 793.03] | J/mol×K | [716.72; 897.37] |
|
| Cp,gas | 707.73 | J/mol×K | 716.72 | Joback Calculated Property |
| Cp,gas | 724.06 | J/mol×K | 746.83 | Joback Calculated Property |
| Cp,gas | 739.55 | J/mol×K | 776.94 | Joback Calculated Property |
| Cp,gas | 754.19 | J/mol×K | 807.05 | Joback Calculated Property |
| Cp,gas | 767.99 | J/mol×K | 837.15 | Joback Calculated Property |
| Cp,gas | 780.93 | J/mol×K | 867.26 | Joback Calculated Property |
| Cp,gas | 793.03 | J/mol×K | 897.37 | Joback Calculated Property |
| η | [0.0000689; 0.0014019] | Pa×s | [395.36; 716.72] |
|
| η | 0.0014019 | Pa×s | 395.36 | Joback Calculated Property |
| η | 0.0006288 | Pa×s | 448.92 | Joback Calculated Property |
| η | 0.0003346 | Pa×s | 502.48 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 556.04 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 609.60 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 663.16 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 716.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl 2-methylbutyl ester.
Sources
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