- InChI
- InChI=1S/C16H20O6/c1-2-3-6-9-21-15(18)11-20-12-16(19)22-14-8-5-4-7-13(14)10-17/h4-5,7-8,10H,2-3,6,9,11-12H2,1H3
- InChI Key
- OMNXZWWODTURCN-UHFFFAOYSA-N
- Formula
- C16H20O6
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1ccccc1C=
O - Molecular Weight1
- 308.33
- 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° | -485.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.154 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [2835.00; 2835.00] |
|
|
| Inp | 2835.00 | NIST | |
| Inp | 2835.00 | NIST | |
| Tboil | 820.80 | K | Joback Calculated Property |
| Tc | 1025.89 | K | Joback Calculated Property |
| Tfus | 517.57 | K | Joback Calculated Property |
| Vc | 0.906 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.39; 753.27] | J/mol×K | [820.80; 1025.89] |
|
| Cp,gas | 691.39 | J/mol×K | 820.80 | Joback Calculated Property |
| Cp,gas | 704.31 | J/mol×K | 854.98 | Joback Calculated Property |
| Cp,gas | 716.19 | J/mol×K | 889.16 | Joback Calculated Property |
| Cp,gas | 727.03 | J/mol×K | 923.34 | Joback Calculated Property |
| Cp,gas | 736.82 | J/mol×K | 957.52 | Joback Calculated Property |
| Cp,gas | 745.57 | J/mol×K | 991.71 | Joback Calculated Property |
| Cp,gas | 753.27 | J/mol×K | 1025.89 | Joback Calculated Property |
| η | [0.0000774; 0.0005923] | Pa×s | [517.57; 820.80] |
|
| η | 0.0005923 | Pa×s | 517.57 | Joback Calculated Property |
| η | 0.0003629 | Pa×s | 568.11 | Joback Calculated Property |
| η | 0.0002409 | Pa×s | 618.65 | Joback Calculated Property |
| η | 0.0001701 | Pa×s | 669.18 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 719.72 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 770.26 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 820.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-formylphenyl pentyl ester.
Sources
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