- InChI
- InChI=1S/C14H26O5/c1-6-11(4)12(5)19-14(16)9-17-8-13(15)18-7-10(2)3/h10-12H,6-9H2,1-5H3
- InChI Key
- RMBCOTHZTPVOKR-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
-
CCC(C)C(C)OC(=O)COCC(=O)OCC(C)
C - Molecular Weight1
- 274.35
- 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 | -1123.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.180 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 564.15 | K | Relay (1.0) Calculated Property |
| Tc | 727.43 | K | Relay (1.0) Calculated Property |
| Tfus | 242.72 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.61; 777.93] | 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 | 6.14340e+01 | |||
| Coefficient B | 1.17880e+00 | |||
| Coefficient C | -4.47200e-04 | |||
| Coefficient D | -1.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 488.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 548.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 602.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 649.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 691.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 726.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 755.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 777.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055615; 0.0000992] | Pa×s | [309.43; 585.18] |
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 | -1.37356e+01 | |||
| Coefficient B | 2.64367e+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. | 309.43 | |||
| Temperature range, max. | 585.18 | |||
| η | 0.0055615 | Pa×s | 309.43 | Calculated Property |
| η | 0.0025757 | Pa×s | 340.07 | Calculated Property |
| η | 0.0013547 | Pa×s | 370.71 | Calculated Property |
| η | 0.0007860 | Pa×s | 401.35 | Calculated Property |
| η | 0.0004926 | Pa×s | 431.99 | Calculated Property |
| η | 0.0003285 | Pa×s | 462.63 | Calculated Property |
| η | 0.0002303 | Pa×s | 493.26 | Calculated Property |
| η | 0.0001683 | Pa×s | 523.90 | Calculated Property |
| η | 0.0001274 | Pa×s | 554.54 | Calculated Property |
| η | 0.0000992 | Pa×s | 585.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 3-methylpent-2-yl ester.
Sources
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