- InChI
- InChI=1S/C16H30O5/c1-5-20-15(17)11-19-12-16(18)21-10-9-14(4)8-6-7-13(2)3/h13-14H,5-12H2,1-4H3
- InChI Key
- PAVWILICCRIPFO-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCOC(=O)COCC(=O)OCCC(C)CCCC(C)
C - Molecular Weight1
- 302.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1142.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.962 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Inp | [2402.00; 2402.00] |
|
|
| Inp | 2402.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Tboil | 597.30 | K | Relay (1.0) Calculated Property |
| Tc | 754.23 | K | Relay (1.0) Calculated Property |
| Tfus | 243.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.80; 838.58] | J/mol×K | [703.66; 879.42] |
|
| Cp,gas | 749.80 | J/mol×K | 703.66 | Joback Calculated Property |
| Cp,gas | 766.87 | J/mol×K | 732.95 | Joback Calculated Property |
| Cp,gas | 783.04 | J/mol×K | 762.25 | Joback Calculated Property |
| Cp,gas | 798.29 | J/mol×K | 791.54 | Joback Calculated Property |
| Cp,gas | 812.63 | J/mol×K | 820.83 | Joback Calculated Property |
| Cp,gas | 826.05 | J/mol×K | 850.13 | Joback Calculated Property |
| Cp,gas | 838.58 | J/mol×K | 879.42 | Joback Calculated Property |
| η | [0.0000486; 0.0028823] | Pa×s | [346.97; 703.66] |
|
| η | 0.0028823 | Pa×s | 346.97 | Joback Calculated Property |
| η | 0.0008875 | Pa×s | 406.42 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 465.87 | Joback Calculated Property |
| η | 0.0001872 | Pa×s | 525.32 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 584.76 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 644.21 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 703.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3,7-dimethyloctyl ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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