- InChI
- InChI=1S/C13H24O4/c1-9(2)11(5)17-13(15)8-6-7-12(14)16-10(3)4/h9-11H,6-8H2,1-5H3
- InChI Key
- WITDUQPWOBYWRC-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CC(C)OC(=O)CCCC(=O)OC(C)C(C)C
- Molecular Weight1
- 244.33
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -981.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.696 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | [1478.00; 1478.00] |
|
|
| Inp | 1478.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Tboil | 513.26 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.99; 707.84] | 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 | 3.68430e+01 | |||
| Coefficient B | 1.14700e+00 | |||
| Coefficient C | -5.03800e-04 | |||
| Coefficient D | 2.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 312.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 442.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 547.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 591.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 628.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 660.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 687.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 707.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0114560; 0.0001379] | Pa×s | [275.93; 554.53] |
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 | -1.32665e+01 | |||
| Coefficient B | 2.42742e+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. | 275.93 | |||
| Temperature range, max. | 554.53 | |||
| η | 0.0114560 | Pa×s | 275.93 | Calculated Property |
| η | 0.0047168 | Pa×s | 306.89 | Calculated Property |
| η | 0.0022850 | Pa×s | 337.84 | Calculated Property |
| η | 0.0012502 | Pa×s | 368.80 | Calculated Property |
| η | 0.0007510 | Pa×s | 399.75 | Calculated Property |
| η | 0.0004854 | Pa×s | 430.71 | Calculated Property |
| η | 0.0003326 | Pa×s | 461.66 | Calculated Property |
| η | 0.0002390 | Pa×s | 492.62 | Calculated Property |
| η | 0.0001786 | Pa×s | 523.57 | Calculated Property |
| η | 0.0001379 | Pa×s | 554.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl isopropyl ester.
Sources
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