- InChI
- InChI=1S/C19H34O4/c1-4-5-6-10-15(2)22-18(20)13-9-14-19(21)23-16(3)17-11-7-8-12-17/h15-17H,4-14H2,1-3H3
- InChI Key
- JNSURHCIJYZVDW-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(C)C1
CCCC1 - Molecular Weight1
- 326.48
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1043.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.791 | Crippen Calculated Property | |
| McVol | 282.590 | ml/mol | McGowan Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 609.62 | K | Relay (1.0) Calculated Property |
| Tfus | 255.35 | 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 | [407.36; 1000.15] | 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 | -2.74130e+01 | |||
| Coefficient B | 1.84276e+00 | |||
| Coefficient C | -9.54400e-04 | |||
| Coefficient D | 1.39200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 407.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 511.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 604.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 687.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 761.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 825.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 881.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 928.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 968.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1000.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033239; 0.0001032] | Pa×s | [369.45; 668.89] |
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 | -1.34626e+01 | |||
| Coefficient B | 2.86546e+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. | 369.45 | |||
| Temperature range, max. | 668.89 | |||
| η | 0.0033239 | Pa×s | 369.45 | Calculated Property |
| η | 0.0017513 | Pa×s | 402.72 | Calculated Property |
| η | 0.0010176 | Pa×s | 435.99 | Calculated Property |
| η | 0.0006385 | Pa×s | 469.26 | Calculated Property |
| η | 0.0004262 | Pa×s | 502.53 | Calculated Property |
| η | 0.0002991 | Pa×s | 535.80 | Calculated Property |
| η | 0.0002188 | Pa×s | 569.07 | Calculated Property |
| η | 0.0001657 | Pa×s | 602.34 | Calculated Property |
| η | 0.0001292 | Pa×s | 635.61 | Calculated Property |
| η | 0.0001032 | Pa×s | 668.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-cyclopentylethyl hept-2-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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