- InChI
- InChI=1S/C19H32O4/c1-14(16-8-3-4-9-16)22-18(20)12-7-13-19(21)23-15(2)17-10-5-6-11-17/h14-17H,3-13H2,1-2H3
- InChI Key
- ATTLREQGIYHTNN-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
CC(OC(=O)CCCC(=O)OC(C)C1CCCC1)
C1CCCC1 - Molecular Weight1
- 324.45
- 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).
- 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 | -1025.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.84 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.401 | Crippen Calculated Property | |
| McVol | 271.730 | ml/mol | McGowan Calculated Property |
| Inp | [2231.00; 2231.00] |
|
|
| Inp | 2231.00 | NIST | |
| Inp | 2231.00 | NIST | |
| Tboil | 628.19 | K | Relay (1.0) Calculated Property |
| Tfus | 289.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [374.14; 983.44] | 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 | -8.78970e+01 | |||
| Coefficient B | 1.97444e+00 | |||
| Coefficient C | -1.08180e-03 | |||
| Coefficient D | 1.78700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 374.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 483.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 580.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 666.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 808.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 864.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 912.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 951.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 983.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037151; 0.0001390] | Pa×s | [380.35; 691.67] |
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 | -1.28948e+01 | |||
| Coefficient B | 2.77636e+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. | 380.35 | |||
| Temperature range, max. | 691.67 | |||
| η | 0.0037151 | Pa×s | 380.35 | Calculated Property |
| η | 0.0020216 | Pa×s | 414.94 | Calculated Property |
| η | 0.0012081 | Pa×s | 449.53 | Calculated Property |
| η | 0.0007771 | Pa×s | 484.12 | Calculated Property |
| η | 0.0005301 | Pa×s | 518.71 | Calculated Property |
| η | 0.0003794 | Pa×s | 553.30 | Calculated Property |
| η | 0.0002824 | Pa×s | 587.89 | Calculated Property |
| η | 0.0002172 | Pa×s | 622.48 | Calculated Property |
| η | 0.0001717 | Pa×s | 657.07 | Calculated Property |
| η | 0.0001390 | Pa×s | 691.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(1-cyclopentylethyl) 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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