- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.92; 777.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.31160e+01 | |||
| Coefficient B | 1.17288e+00 | |||
| Coefficient C | -4.44000e-04 | |||
| Coefficient D | -1.46000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 487.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 547.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 601.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 649.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 690.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 725.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 754.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 777.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038125; 0.0001076] | Pa×s | [324.43; 583.72] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.36016e+01 | |||
| Coefficient B | 2.60585e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 324.43 | |||
| Temperature range, max. | 583.72 | |||
| η | 0.0038125 | Pa×s | 324.43 | Calculated Property |
| η | 0.0019801 | Pa×s | 353.24 | Calculated Property |
| η | 0.0011353 | Pa×s | 382.05 | Calculated Property |
| η | 0.0007037 | Pa×s | 410.86 | Calculated Property |
| η | 0.0004644 | Pa×s | 439.67 | Calculated Property |
| η | 0.0003226 | Pa×s | 468.48 | Calculated Property |
| η | 0.0002337 | Pa×s | 497.29 | Calculated Property |
| η | 0.0001754 | Pa×s | 526.10 | Calculated Property |
| η | 0.0001356 | Pa×s | 554.91 | Calculated Property |
| η | 0.0001076 | Pa×s | 583.72 | 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
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