- InChI
- InChI=1S/C22H34O4/c1-4-5-6-7-8-9-14-19(3)25-21(23)16-12-17-22(24)26-20-15-11-10-13-18(20)2/h10-11,13,15,19H,4-9,12,14,16-17H2,1-3H3
- InChI Key
- BYSDPJNMBLTNAS-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
cccc1C - Molecular Weight1
- 362.51
- 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).
- IE : Ionization energy (eV).
- 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 | -895.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.753 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Inp | [2541.00; 2541.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2541.00 | NIST | |
| Tboil | 639.80 | 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, 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 | [449.84; 1049.52] | 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 | 1.24200e+01 | |||
| Coefficient B | 1.85176e+00 | |||
| Coefficient C | -9.51160e-04 | |||
| Coefficient D | 1.36500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 449.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 554.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 648.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 807.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 872.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 928.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 976.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1016.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1049.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008617; 0.0000526] | Pa×s | [446.30; 734.34] |
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 | -1.41849e+01 | |||
| Coefficient B | 3.18138e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 446.30 | |||
| Temperature range, max. | 734.34 | |||
| η | 0.0008617 | Pa×s | 446.30 | Calculated Property |
| η | 0.0005348 | Pa×s | 478.30 | Calculated Property |
| η | 0.0003524 | Pa×s | 510.31 | Calculated Property |
| η | 0.0002439 | Pa×s | 542.31 | Calculated Property |
| η | 0.0001759 | Pa×s | 574.32 | Calculated Property |
| η | 0.0001313 | Pa×s | 606.32 | Calculated Property |
| η | 0.0001009 | Pa×s | 638.32 | Calculated Property |
| η | 0.0000796 | Pa×s | 670.33 | Calculated Property |
| η | 0.0000641 | Pa×s | 702.33 | Calculated Property |
| η | 0.0000526 | Pa×s | 734.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 2-methylphenyl 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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