- InChI
- InChI=1S/C25H38O4/c1-3-5-6-7-8-9-10-11-12-13-20-28-24(26)18-15-19-25(27)29-23-17-14-16-22(4-2)21-23/h12-14,16-17,21H,3-11,15,18-20H2,1-2H3/b13-12+
- InChI Key
- DSIFOWUKLDGHDY-OUKQBFOZSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCCC(=O)O
c1cccc(CC)c1 - Molecular Weight1
- 402.57
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 63.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.38 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.565 | Crippen Calculated Property | |
| McVol | 349.930 | ml/mol | McGowan Calculated Property |
| Inp | [2949.00; 2949.00] |
|
|
| Inp | 2949.00 | NIST | |
| Inp | 2949.00 | NIST | |
| Tboil | 668.96 | K | Relay (1.0) Calculated Property |
| Tc | 876.32 | K | Relay (1.0) Calculated Property |
| Tfus | 276.71 | 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 | [499.79; 1173.17] | 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 | -2.80700e+00 | |||
| Coefficient B | 2.15084e+00 | |||
| Coefficient C | -1.19496e-03 | |||
| Coefficient D | 2.20100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 618.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 724.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 818.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 901.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 973.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1036.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1090.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1135.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1173.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004592; 0.0000325] | Pa×s | [490.03; 792.36] |
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 | -1.46291e+01 | |||
| Coefficient B | 3.40228e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 490.03 | |||
| Temperature range, max. | 792.36 | |||
| η | 0.0004592 | Pa×s | 490.03 | Calculated Property |
| η | 0.0002941 | Pa×s | 523.62 | Calculated Property |
| η | 0.0001988 | Pa×s | 557.21 | Calculated Property |
| η | 0.0001405 | Pa×s | 590.81 | Calculated Property |
| η | 0.0001031 | Pa×s | 624.40 | Calculated Property |
| η | 0.0000780 | Pa×s | 657.99 | Calculated Property |
| η | 0.0000607 | Pa×s | 691.58 | Calculated Property |
| η | 0.0000483 | Pa×s | 725.18 | Calculated Property |
| η | 0.0000393 | Pa×s | 758.77 | Calculated Property |
| η | 0.0000325 | Pa×s | 792.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 3-ethylphenyl 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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