- InChI
- InChI=1S/C20H30O4/c1-5-6-7-11-16(3)23-19(21)13-9-14-20(22)24-18-12-8-10-15(2)17(18)4/h8,10,12,16H,5-7,9,11,13-14H2,1-4H3
- InChI Key
- JKCLYBKAUABPGW-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cccc
(C)c1C - Molecular Weight1
- 334.45
- 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 | -870.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.891 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Inp | [2373.00; 2373.00] |
|
|
| Inp | 2373.00 | NIST | |
| Inp | 2373.00 | NIST | |
| Tboil | 627.14 | 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 | [409.96; 943.30] | 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 | 2.85370e+01 | |||
| Coefficient B | 1.60228e+00 | |||
| Coefficient C | -7.75320e-04 | |||
| Coefficient D | 8.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 409.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 502.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 585.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 660.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 726.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 785.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 835.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 878.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 914.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 943.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008844; 0.0000676] | Pa×s | [436.28; 705.19] |
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 | -1.37735e+01 | |||
| Coefficient B | 2.94180e+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. | 436.28 | |||
| Temperature range, max. | 705.19 | |||
| η | 0.0008844 | Pa×s | 436.28 | Calculated Property |
| η | 0.0005741 | Pa×s | 466.16 | Calculated Property |
| η | 0.0003925 | Pa×s | 496.04 | Calculated Property |
| η | 0.0002802 | Pa×s | 525.92 | Calculated Property |
| η | 0.0002075 | Pa×s | 555.80 | Calculated Property |
| η | 0.0001584 | Pa×s | 585.68 | Calculated Property |
| η | 0.0001241 | Pa×s | 615.55 | Calculated Property |
| η | 0.0000995 | Pa×s | 645.43 | Calculated Property |
| η | 0.0000813 | Pa×s | 675.31 | Calculated Property |
| η | 0.0000676 | Pa×s | 705.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2,3-dimethylphenyl 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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