- InChI
- InChI=1S/C22H34O5/c1-4-5-6-7-8-9-13-18(2)26-21(23)16-12-17-22(24)27-20-15-11-10-14-19(20)25-3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
- InChI Key
- DLYYARTTXKVMST-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
cccc1OC - Molecular Weight1
- 378.50
- 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 | -1001.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.73 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.453 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Inp | [2672.00; 2672.00] |
|
|
| Inp | 2672.00 | NIST | |
| Inp | 2672.00 | NIST | |
| Tboil | 650.79 | 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 | [465.24; 1068.02] | 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 | 3.79200e+01 | |||
| Coefficient B | 1.78856e+00 | |||
| Coefficient C | -8.40160e-04 | |||
| Coefficient D | 8.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 465.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 569.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 747.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 822.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 888.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 946.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 995.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1035.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1068.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005659; 0.0000398] | Pa×s | [468.53; 751.55] |
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 | -1.45278e+01 | |||
| Coefficient B | 3.30347e+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. | 468.53 | |||
| Temperature range, max. | 751.55 | |||
| η | 0.0005659 | Pa×s | 468.53 | Calculated Property |
| η | 0.0003632 | Pa×s | 499.98 | Calculated Property |
| η | 0.0002457 | Pa×s | 531.42 | Calculated Property |
| η | 0.0001736 | Pa×s | 562.87 | Calculated Property |
| η | 0.0001273 | Pa×s | 594.32 | Calculated Property |
| η | 0.0000962 | Pa×s | 625.76 | Calculated Property |
| η | 0.0000748 | Pa×s | 657.21 | Calculated Property |
| η | 0.0000594 | Pa×s | 688.66 | Calculated Property |
| η | 0.0000482 | Pa×s | 720.10 | Calculated Property |
| η | 0.0000398 | Pa×s | 751.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-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
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