- InChI
- InChI=1S/C14H26O5/c1-5-7-11(3)18-13(15)9-17-10-14(16)19-12(4)8-6-2/h11-12H,5-10H2,1-4H3
- InChI Key
- AYXISPFARYYDAT-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
- CCCC(C)OC(=O)COCC(=O)OC(C)CCC
- Molecular Weight1
- 274.36
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1116.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.467 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Inp | [2072.00; 2072.00] |
|
|
| Inp | 2072.00 | NIST | |
| Inp | 2072.00 | NIST | |
| Tboil | 553.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [638.42; 723.96] | J/mol×K | [657.90; 833.89] |
|
| Cp,gas | 638.42 | J/mol×K | 657.90 | Joback Calculated Property |
| Cp,gas | 654.72 | J/mol×K | 687.23 | Joback Calculated Property |
| Cp,gas | 670.21 | J/mol×K | 716.56 | Joback Calculated Property |
| Cp,gas | 684.88 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 698.73 | J/mol×K | 775.23 | Joback Calculated Property |
| Cp,gas | 711.76 | J/mol×K | 804.56 | Joback Calculated Property |
| Cp,gas | 723.96 | J/mol×K | 833.89 | Joback Calculated Property |
| η | [0.0000650; 0.0038125] | Pa×s | [324.43; 657.90] |
|
| η | 0.0038125 | Pa×s | 324.43 | Joback Calculated Property |
| η | 0.0011777 | Pa×s | 380.01 | Joback Calculated Property |
| η | 0.0004909 | Pa×s | 435.59 | Joback Calculated Property |
| η | 0.0002495 | Pa×s | 491.17 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 546.74 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 602.32 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 657.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(2-pentyl) 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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