- InChI
- InChI=1S/C25H36O5/c1-3-4-5-6-7-8-9-10-11-12-20-29-24(27)14-13-15-25(28)30-23-18-16-22(17-19-23)21(2)26/h11-12,16-19H,3-10,13-15,20H2,1-2H3/b12-11+
- InChI Key
- ODTDYRWQEMVAQN-VAWYXSNFSA-N
- Formula
- C25H36O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
ccc(C(C)=O)cc1 - Molecular Weight1
- 416.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 64.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.205 | Crippen Calculated Property | |
| McVol | 351.500 | ml/mol | McGowan Calculated Property |
| Inp | [3223.00; 3223.00] |
|
|
| Inp | 3223.00 | NIST | |
| Inp | 3223.00 | NIST | |
| Tboil | 688.24 | K | Relay (1.0) Calculated Property |
| Tc | 900.51 | K | Relay (1.0) Calculated Property |
| Tfus | 314.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [500.72; 1162.19] | 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 | 4.55200e+00 | |||
| Coefficient B | 2.12284e+00 | |||
| Coefficient C | -1.17626e-03 | |||
| Coefficient D | 2.11060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 500.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 722.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 815.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 896.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 968.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1029.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1081.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1125.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1162.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003392; 0.0000307] | Pa×s | [539.96; 837.95] |
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 | -1.47460e+01 | |||
| Coefficient B | 3.64847e+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. | 539.96 | |||
| Temperature range, max. | 837.95 | |||
| η | 0.0003392 | Pa×s | 539.96 | Calculated Property |
| η | 0.0002295 | Pa×s | 573.07 | Calculated Property |
| η | 0.0001621 | Pa×s | 606.18 | Calculated Property |
| η | 0.0001187 | Pa×s | 639.29 | Calculated Property |
| η | 0.0000896 | Pa×s | 672.40 | Calculated Property |
| η | 0.0000695 | Pa×s | 705.51 | Calculated Property |
| η | 0.0000551 | Pa×s | 738.62 | Calculated Property |
| η | 0.0000446 | Pa×s | 771.73 | Calculated Property |
| η | 0.0000367 | Pa×s | 804.84 | Calculated Property |
| η | 0.0000307 | Pa×s | 837.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 4-acetylphenyl 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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