- InChI
- InChI=1S/C19H28O5/c1-16(2)8-6-12-23-18(20)14-22-15-19(21)24-13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3
- InChI Key
- YMPSKPASOXLNMY-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 336.42
- 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° | -353.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | 3096.00 | NIST | |
| Tboil | 835.36 | K | Joback Calculated Property |
| Tc | 1036.71 | K | Joback Calculated Property |
| Tfus | 481.86 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.41; 925.99] | J/mol×K | [835.36; 1036.71] | 
|
| Cp,gas | 849.41 | J/mol×K | 835.36 | Joback Calculated Property |
| Cp,gas | 865.08 | J/mol×K | 868.92 | Joback Calculated Property |
| Cp,gas | 879.57 | J/mol×K | 902.48 | Joback Calculated Property |
| Cp,gas | 892.90 | J/mol×K | 936.03 | Joback Calculated Property |
| Cp,gas | 905.07 | J/mol×K | 969.59 | Joback Calculated Property |
| Cp,gas | 916.10 | J/mol×K | 1003.15 | Joback Calculated Property |
| Cp,gas | 925.99 | J/mol×K | 1036.71 | Joback Calculated Property |
| η | [0.0000429; 0.0006138] | Pa×s | [481.86; 835.36] |
|
| η | 0.0006138 | Pa×s | 481.86 | Joback Calculated Property |
| η | 0.0003094 | Pa×s | 540.78 | Joback Calculated Property |
| η | 0.0001785 | Pa×s | 599.69 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 658.61 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 717.53 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 776.44 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 835.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl 3-phenylpropyl ester.
Sources
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