- InChI
- InChI=1S/C16H22O5/c1-4-5-8-20-15(17)10-19-11-16(18)21-14-9-12(2)6-7-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3
- InChI Key
- QJJKCMWCTOAZJW-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1cc(C)ccc1
C - Molecular Weight1
- 294.34
- 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° | -395.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.569 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | [2579.00; 2579.00] |
|
|
| Inp | 2579.00 | NIST | |
| Inp | 2579.00 | NIST | |
| Tboil | 777.12 | K | Joback Calculated Property |
| Tc | 979.03 | K | Joback Calculated Property |
| Tfus | 488.09 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.43; 748.25] | J/mol×K | [777.12; 979.03] |
|
| Cp,gas | 675.43 | J/mol×K | 777.12 | Joback Calculated Property |
| Cp,gas | 690.08 | J/mol×K | 810.77 | Joback Calculated Property |
| Cp,gas | 703.73 | J/mol×K | 844.42 | Joback Calculated Property |
| Cp,gas | 716.39 | J/mol×K | 878.08 | Joback Calculated Property |
| Cp,gas | 728.03 | J/mol×K | 911.73 | Joback Calculated Property |
| Cp,gas | 738.65 | J/mol×K | 945.38 | Joback Calculated Property |
| Cp,gas | 748.25 | J/mol×K | 979.03 | Joback Calculated Property |
| η | [0.0000717; 0.0005225] | Pa×s | [488.09; 777.12] |
|
| η | 0.0005225 | Pa×s | 488.09 | Joback Calculated Property |
| η | 0.0003234 | Pa×s | 536.26 | Joback Calculated Property |
| η | 0.0002166 | Pa×s | 584.43 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 632.61 | Joback Calculated Property |
| η | 0.0001152 | Pa×s | 680.78 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 728.95 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 777.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2,5-dimethylphenyl ester.
Sources
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