- InChI
- InChI=1S/C21H30O6/c1-3-4-5-6-7-8-11-14-26-20(23)15-25-16-21(24)27-19-13-10-9-12-18(19)17(2)22/h9-10,12-13H,3-8,11,14-16H2,1-2H3
- InChI Key
- AUASJECXPJNKEA-UHFFFAOYSA-N
- Formula
- C21H30O6
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)Oc1cccc
c1C(C)=O - Molecular Weight1
- 378.46
- 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° | -473.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -986.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.105 | Crippen Calculated Property | |
| McVol | 305.310 | ml/mol | McGowan Calculated Property |
| Pc | 1293.93 | kPa | Joback Calculated Property |
| Inp | 3331.00 | NIST | |
| Tboil | 940.41 | K | Joback Calculated Property |
| Tc | 1153.53 | K | Joback Calculated Property |
| Tfus | 581.85 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.33; 1043.57] | J/mol×K | [940.41; 1153.53] | 
|
| Cp,gas | 981.33 | J/mol×K | 940.41 | Joback Calculated Property |
| Cp,gas | 995.16 | J/mol×K | 975.93 | Joback Calculated Property |
| Cp,gas | 1007.58 | J/mol×K | 1011.45 | Joback Calculated Property |
| Cp,gas | 1018.62 | J/mol×K | 1046.97 | Joback Calculated Property |
| Cp,gas | 1028.29 | J/mol×K | 1082.49 | Joback Calculated Property |
| Cp,gas | 1036.61 | J/mol×K | 1118.01 | Joback Calculated Property |
| Cp,gas | 1043.57 | J/mol×K | 1153.53 | Joback Calculated Property |
| η | [0.0000337; 0.0003079] | Pa×s | [581.85; 940.41] |
|
| η | 0.0003079 | Pa×s | 581.85 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 641.61 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 701.37 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 761.13 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 820.89 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 880.65 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 940.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-acetylphenyl nonyl ester.
Sources
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