- InChI
- InChI=1S/C14H26O4/c1-6-12(10(2)3)18-14(16)9-7-8-13(15)17-11(4)5/h10-12H,6-9H2,1-5H3
- InChI Key
- IRUFZMHUAVOOCF-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCC(OC(=O)CCCC(=O)OC(C)C)C(C)C
- Molecular Weight1
- 258.36
- 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).
- 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 | -996.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.086 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Inp | [1556.00; 1556.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Tboil | 530.08 | 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, 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 | [334.21; 759.43] | 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 | 3.59340e+01 | |||
| Coefficient B | 1.24200e+00 | |||
| Coefficient C | -5.58200e-04 | |||
| Coefficient D | 3.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 586.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 633.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 673.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 708.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 736.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 759.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097569; 0.0001255] | Pa×s | [287.20; 569.67] |
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 | -1.34097e+01 | |||
| Coefficient B | 2.52158e+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. | 287.20 | |||
| Temperature range, max. | 569.67 | |||
| η | 0.0097569 | Pa×s | 287.20 | Calculated Property |
| η | 0.0041084 | Pa×s | 318.59 | Calculated Property |
| η | 0.0020202 | Pa×s | 349.97 | Calculated Property |
| η | 0.0011165 | Pa×s | 381.36 | Calculated Property |
| η | 0.0006753 | Pa×s | 412.74 | Calculated Property |
| η | 0.0004385 | Pa×s | 444.13 | Calculated Property |
| η | 0.0003015 | Pa×s | 475.51 | Calculated Property |
| η | 0.0002171 | Pa×s | 506.90 | Calculated Property |
| η | 0.0001624 | Pa×s | 538.28 | Calculated Property |
| η | 0.0001255 | Pa×s | 569.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl isopropyl 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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