- InChI
- InChI=1S/C25H32O4/c1-3-4-7-13-20(2)28-23(26)18-12-19-24(27)29-25(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-6,8-11,14-17,20,25H,3-4,7,12-13,18-19H2,1-2H3
- InChI Key
- QIMGWYNZEPQLDB-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(c1cc
ccc1)c1ccccc1 - Molecular Weight1
- 396.52
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -707.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.002 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Inp | [2808.00; 2808.00] |
|
|
| Inp | 2808.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Tboil | 662.44 | K | Relay (1.0) Calculated Property |
| Tfus | 302.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.07; 1133.68] | J/mol×K | [940.52; 1161.11] |
|
| Cp,gas | 1066.07 | J/mol×K | 940.52 | Joback Calculated Property |
| Cp,gas | 1080.93 | J/mol×K | 977.29 | Joback Calculated Property |
| Cp,gas | 1094.27 | J/mol×K | 1014.05 | Joback Calculated Property |
| Cp,gas | 1106.15 | J/mol×K | 1050.82 | Joback Calculated Property |
| Cp,gas | 1116.63 | J/mol×K | 1087.58 | Joback Calculated Property |
| Cp,gas | 1125.79 | J/mol×K | 1124.35 | Joback Calculated Property |
| Cp,gas | 1133.68 | J/mol×K | 1161.11 | Joback Calculated Property |
| η | [0.0000169; 0.0006640] | Pa×s | [479.01; 940.52] |
|
| η | 0.0006640 | Pa×s | 479.01 | Joback Calculated Property |
| η | 0.0002357 | Pa×s | 555.93 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 632.85 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 709.76 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 786.68 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 863.60 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 940.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl diphenylmethyl 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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