- InChI
- InChI=1S/C20H30O5/c1-5-6-7-9-16(3)24-19(21)10-8-11-20(22)25-18-14-15(2)12-13-17(18)23-4/h12-14,16H,5-11H2,1-4H3
- InChI Key
- JWMOCDZWUCOGJY-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cc(C
)ccc1OC - Molecular Weight1
- 350.45
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -983.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.91 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.591 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Inp | [2436.00; 2436.00] |
|
|
| Inp | 2436.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Tboil | 638.57 | 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 | [425.37; 961.80] | 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 | 5.40370e+01 | |||
| Coefficient B | 1.53908e+00 | |||
| Coefficient C | -6.64320e-04 | |||
| Coefficient D | 3.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 425.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 600.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 801.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 853.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 896.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 933.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 961.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005929; 0.0000519] | Pa×s | [458.51; 721.54] |
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 | -1.41128e+01 | |||
| Coefficient B | 3.06389e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 458.51 | |||
| Temperature range, max. | 721.54 | |||
| η | 0.0005929 | Pa×s | 458.51 | Calculated Property |
| η | 0.0003973 | Pa×s | 487.74 | Calculated Property |
| η | 0.0002785 | Pa×s | 516.96 | Calculated Property |
| η | 0.0002028 | Pa×s | 546.19 | Calculated Property |
| η | 0.0001525 | Pa×s | 575.41 | Calculated Property |
| η | 0.0001179 | Pa×s | 604.64 | Calculated Property |
| η | 0.0000934 | Pa×s | 633.86 | Calculated Property |
| η | 0.0000754 | Pa×s | 663.09 | Calculated Property |
| η | 0.0000621 | Pa×s | 692.31 | Calculated Property |
| η | 0.0000519 | Pa×s | 721.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 5-methyl-2-methoxybenzyl 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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