- InChI
- InChI=1S/C13H24O5/c1-5-6-11(4)18-13(15)9-16-8-12(14)17-7-10(2)3/h10-11H,5-9H2,1-4H3
- InChI Key
- DTDIQGBHSLYSEM-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CCCC(C)OC(=O)COCC(=O)OCC(C)C
- Molecular Weight1
- 260.33
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1092.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.934 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | [1996.00; 1996.00] |
|
|
| Inp | 1996.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Tboil | 551.28 | K | Relay (1.0) Calculated Property |
| Tc | 714.01 | K | Relay (1.0) Calculated Property |
| Tfus | 238.68 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [584.61; 668.10] | J/mol×K | [635.02; 811.75] |
|
| Cp,gas | 584.61 | J/mol×K | 635.02 | Joback Calculated Property |
| Cp,gas | 600.46 | J/mol×K | 664.48 | Joback Calculated Property |
| Cp,gas | 615.54 | J/mol×K | 693.93 | Joback Calculated Property |
| Cp,gas | 629.84 | J/mol×K | 723.39 | Joback Calculated Property |
| Cp,gas | 643.38 | J/mol×K | 752.84 | Joback Calculated Property |
| Cp,gas | 656.13 | J/mol×K | 782.30 | Joback Calculated Property |
| Cp,gas | 668.10 | J/mol×K | 811.75 | Joback Calculated Property |
| η | [0.0000749; 0.0043631] | Pa×s | [313.16; 635.02] |
|
| η | 0.0043631 | Pa×s | 313.16 | Joback Calculated Property |
| η | 0.0013502 | Pa×s | 366.80 | Joback Calculated Property |
| η | 0.0005636 | Pa×s | 420.45 | Joback Calculated Property |
| η | 0.0002867 | Pa×s | 474.09 | Joback Calculated Property |
| η | 0.0001673 | Pa×s | 527.73 | Joback Calculated Property |
| η | 0.0001078 | Pa×s | 581.38 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 635.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2-pentyl ester.
Sources
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