- InChI
- InChI=1S/C16H28O4/c1-4-14(12(2)3)20-16(18)11-7-10-15(17)19-13-8-5-6-9-13/h12-14H,4-11H2,1-3H3
- InChI Key
- PXNJXOUWWXBOTB-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
CCC(OC(=O)CCCC(=O)OC1CCCC1)C(C
)C - Molecular Weight1
- 284.39
- 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.
- 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 | -978.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.620 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Inp | [1874.00; 1874.00] |
|
|
| Inp | 1874.00 | NIST | |
| Inp | 1874.00 | NIST | |
| Tfus | 253.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [343.72; 845.37] | 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 | -2.46860e+01 | |||
| Coefficient B | 1.55776e+00 | |||
| Coefficient C | -7.91200e-04 | |||
| Coefficient D | 1.03500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 431.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 511.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 582.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 644.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 699.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 746.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 786.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 819.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049521; 0.0001427] | Pa×s | [335.64; 622.55] |
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 | -1.30036e+01 | |||
| Coefficient B | 2.58298e+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. | 335.64 | |||
| Temperature range, max. | 622.55 | |||
| η | 0.0049521 | Pa×s | 335.64 | Calculated Property |
| η | 0.0025403 | Pa×s | 367.52 | Calculated Property |
| η | 0.0014496 | Pa×s | 399.40 | Calculated Property |
| η | 0.0008988 | Pa×s | 431.28 | Calculated Property |
| η | 0.0005951 | Pa×s | 463.16 | Calculated Property |
| η | 0.0004156 | Pa×s | 495.04 | Calculated Property |
| η | 0.0003031 | Pa×s | 526.91 | Calculated Property |
| η | 0.0002291 | Pa×s | 558.79 | Calculated Property |
| η | 0.0001785 | Pa×s | 590.67 | Calculated Property |
| η | 0.0001427 | Pa×s | 622.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl 2-methylpent-3-yl 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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