- InChI
- InChI=1S/C25H31ClO4/c26-19-8-3-1-2-4-9-20-29-24(27)13-10-14-25(28)30-23-17-15-22(16-18-23)21-11-6-5-7-12-21/h5-7,11-12,15-18H,1-4,8-10,13-14,19-20H2
- InChI Key
- TZGPSJWHAVGYCI-UHFFFAOYSA-N
- Formula
- C25H31ClO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(-c2ccccc2)c
c1)OCCCCCCCCCl - Molecular Weight1
- 430.96
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -738.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.552 | Crippen Calculated Property | |
| McVol | 342.710 | ml/mol | McGowan Calculated Property |
| Inp | [3496.00; 3496.00] |
|
|
| Inp | 3496.00 | NIST | |
| Inp | 3496.00 | NIST | |
| Tboil | 726.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.61; 1145.80] | J/mol×K | [983.81; 1208.34] |
|
| Cp,gas | 1087.61 | J/mol×K | 983.81 | Joback Calculated Property |
| Cp,gas | 1100.79 | J/mol×K | 1021.23 | Joback Calculated Property |
| Cp,gas | 1112.49 | J/mol×K | 1058.65 | Joback Calculated Property |
| Cp,gas | 1122.77 | J/mol×K | 1096.07 | Joback Calculated Property |
| Cp,gas | 1131.71 | J/mol×K | 1133.49 | Joback Calculated Property |
| Cp,gas | 1139.36 | J/mol×K | 1170.92 | Joback Calculated Property |
| Cp,gas | 1145.80 | J/mol×K | 1208.34 | Joback Calculated Property |
| η | [0.0000173; 0.0003131] | Pa×s | [551.45; 983.81] |
|
| η | 0.0003131 | Pa×s | 551.45 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 623.51 | Joback Calculated Property |
| η | 0.0000800 | Pa×s | 695.57 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 767.63 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 839.69 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 911.75 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 983.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-biphenyl 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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