- InChI
- InChI=1S/C25H38O6/c1-4-5-6-7-8-9-10-11-12-13-20-30-23(26)18-15-19-24(27)31-25-21(28-2)16-14-17-22(25)29-3/h12-14,16-17H,4-11,15,18-20H2,1-3H3/b13-12+
- InChI Key
- SWLTZTODVVXGCF-OUKQBFOZSA-N
- Formula
- C25H38O6
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
c(OC)cccc1OC - Molecular Weight1
- 434.57
- 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° | 65.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.13 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.020 | Crippen Calculated Property | |
| McVol | 361.670 | ml/mol | McGowan Calculated Property |
| Inp | [3155.00; 3155.00] |
|
|
| Inp | 3155.00 | NIST | |
| Inp | 3155.00 | NIST | |
| Tboil | 690.50 | K | Relay (1.0) Calculated Property |
| Tc | 890.41 | K | Relay (1.0) Calculated Property |
| Tfus | 315.64 | 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 | [533.15; 1207.13] | 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 | 6.24920e+01 | |||
| Coefficient B | 1.96496e+00 | |||
| Coefficient C | -9.05920e-04 | |||
| Coefficient D | 8.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 533.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 648.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 752.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 846.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 930.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1004.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1068.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1123.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1169.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1207.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001737; 0.0000180] | Pa×s | [547.01; 834.54] |
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 | -1.52306e+01 | |||
| Coefficient B | 3.59520e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 547.01 | |||
| Temperature range, max. | 834.54 | |||
| η | 0.0001737 | Pa×s | 547.01 | Calculated Property |
| η | 0.0001209 | Pa×s | 578.96 | Calculated Property |
| η | 0.0000873 | Pa×s | 610.90 | Calculated Property |
| η | 0.0000652 | Pa×s | 642.85 | Calculated Property |
| η | 0.0000500 | Pa×s | 674.80 | Calculated Property |
| η | 0.0000393 | Pa×s | 706.75 | Calculated Property |
| η | 0.0000316 | Pa×s | 738.69 | Calculated Property |
| η | 0.0000258 | Pa×s | 770.64 | Calculated Property |
| η | 0.0000214 | Pa×s | 802.59 | Calculated Property |
| η | 0.0000180 | Pa×s | 834.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,6-dimethoxyphenyl 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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