- InChI
- InChI=1S/C17H24O5/c1-14(2)11-22-17(19)13-20-12-16(18)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3
- InChI Key
- OAZLVVHNOHXPBE-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CC(C)COC(=O)COCC(=O)OCCCc1cccc
c1 - Molecular Weight1
- 308.37
- 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° | -370.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [2798.00; 2798.00] |
|
|
| Inp | 2798.00 | NIST | |
| Inp | 2798.00 | NIST | |
| Tboil | 789.60 | K | Joback Calculated Property |
| Tc | 991.44 | K | Joback Calculated Property |
| Tfus | 459.32 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.03; 809.57] | J/mol×K | [789.60; 991.44] |
|
| Cp,gas | 734.03 | J/mol×K | 789.60 | Joback Calculated Property |
| Cp,gas | 749.32 | J/mol×K | 823.24 | Joback Calculated Property |
| Cp,gas | 763.52 | J/mol×K | 856.88 | Joback Calculated Property |
| Cp,gas | 776.64 | J/mol×K | 890.52 | Joback Calculated Property |
| Cp,gas | 788.68 | J/mol×K | 924.16 | Joback Calculated Property |
| Cp,gas | 799.66 | J/mol×K | 957.80 | Joback Calculated Property |
| Cp,gas | 809.57 | J/mol×K | 991.44 | Joback Calculated Property |
| η | [0.0000569; 0.0007568] | Pa×s | [459.32; 789.60] |
|
| η | 0.0007568 | Pa×s | 459.32 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 514.37 | Joback Calculated Property |
| η | 0.0002289 | Pa×s | 569.41 | Joback Calculated Property |
| η | 0.0001474 | Pa×s | 624.46 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 679.51 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 734.55 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 789.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 3-phenylpropyl ester.
Sources
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