- InChI
- InChI=1S/C25H36O4/c1-24(2)18-10-8-16(20(24)12-18)14-28-22(26)6-5-7-23(27)29-15-17-9-11-19-13-21(17)25(19,3)4/h8-9,18-21H,5-7,10-15H2,1-4H3
- InChI Key
- IPAYWXFLWLCLLO-UHFFFAOYSA-N
- Formula
- C25H36O4
- SMILES
-
CC1(C)C2CC=C(COC(=O)CCCC(=O)OC
C3=CCC4CC3C4(C)C)C1C2 - Molecular Weight1
- 400.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 48.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.228 | Crippen Calculated Property | |
| McVol | 325.950 | ml/mol | McGowan Calculated Property |
| Inp | [2842.00; 2842.00] |
|
|
| Inp | 2842.00 | NIST | |
| Inp | 2842.00 | NIST | |
| Tboil | 661.71 | K | Relay (1.0) Calculated Property |
| Tfus | 405.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [453.77; 1207.12] | 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 | -2.24175e+02 | |||
| Coefficient B | 3.15348e+00 | |||
| Coefficient C | -2.72988e-03 | |||
| Coefficient D | 1.00770e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 453.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 594.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 713.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 813.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 899.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 972.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1036.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1094.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1150.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1207.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(myrtenyl) 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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