- InChI
- InChI=1S/C19H28O5/c1-4-5-6-10-15(2)23-18(20)13-9-14-19(21)24-17-12-8-7-11-16(17)22-3/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3
- InChI Key
- XNXGYZAXUTXRTP-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cccc
c1OC - Molecular Weight1
- 336.43
- 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 | -943.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.50 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.283 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 629.39 | 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 | [401.60; 913.25] | 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 | 4.06470e+01 | |||
| Coefficient B | 1.50356e+00 | |||
| Coefficient C | -6.76960e-04 | |||
| Coefficient D | 4.60000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 401.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 489.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 569.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 642.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 706.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 762.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 811.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 852.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 886.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 913.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008257; 0.0000589] | Pa×s | [434.72; 701.14] |
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 | -1.40486e+01 | |||
| Coefficient B | 3.02099e+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. | 434.72 | |||
| Temperature range, max. | 701.14 | |||
| η | 0.0008257 | Pa×s | 434.72 | Calculated Property |
| η | 0.0005301 | Pa×s | 464.32 | Calculated Property |
| η | 0.0003590 | Pa×s | 493.92 | Calculated Property |
| η | 0.0002540 | Pa×s | 523.53 | Calculated Property |
| η | 0.0001865 | Pa×s | 553.13 | Calculated Property |
| η | 0.0001413 | Pa×s | 582.73 | Calculated Property |
| η | 0.0001100 | Pa×s | 612.33 | Calculated Property |
| η | 0.0000876 | Pa×s | 641.93 | Calculated Property |
| η | 0.0000712 | Pa×s | 671.54 | Calculated Property |
| η | 0.0000589 | Pa×s | 701.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-methoxyphenyl 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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