- InChI
- InChI=1S/C17H22O6/c1-13(2)6-5-9-22-16(19)11-21-12-17(20)23-15-8-4-3-7-14(15)10-18/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3
- InChI Key
- OWUABLIVYLSIPM-UHFFFAOYSA-N
- Formula
- C17H22O6
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)Oc1ccccc
1C=O - Molecular Weight1
- 322.35
- 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° | -479.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.401 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [2917.00; 2917.00] |
|
|
| Inp | 2917.00 | NIST | |
| Inp | 2917.00 | NIST | |
| Tboil | 843.24 | K | Joback Calculated Property |
| Tc | 1050.17 | K | Joback Calculated Property |
| Tfus | 513.84 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.37; 811.18] | J/mol×K | [843.24; 1050.17] |
|
| Cp,gas | 748.37 | J/mol×K | 843.24 | Joback Calculated Property |
| Cp,gas | 761.65 | J/mol×K | 877.73 | Joback Calculated Property |
| Cp,gas | 773.81 | J/mol×K | 912.22 | Joback Calculated Property |
| Cp,gas | 784.83 | J/mol×K | 946.71 | Joback Calculated Property |
| Cp,gas | 794.74 | J/mol×K | 981.20 | Joback Calculated Property |
| Cp,gas | 803.52 | J/mol×K | 1015.68 | Joback Calculated Property |
| Cp,gas | 811.18 | J/mol×K | 1050.17 | Joback Calculated Property |
| η | [0.0000619; 0.0005973] | Pa×s | [513.84; 843.24] |
|
| η | 0.0005973 | Pa×s | 513.84 | Joback Calculated Property |
| η | 0.0003411 | Pa×s | 568.74 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 623.64 | Joback Calculated Property |
| η | 0.0001460 | Pa×s | 678.54 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 733.44 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 788.34 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 843.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-formylphenyl isohexyl ester.
Sources
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