- InChI
- InChI=1S/C16H19ClO4/c17-12-5-3-8-14(11-12)21-16(19)10-4-9-15(18)20-13-6-1-2-7-13/h3,5,8,11,13H,1-2,4,6-7,9-10H2
- InChI Key
- IOVXNILXMLJCRA-UHFFFAOYSA-N
- Formula
- C16H19ClO4
- SMILES
-
O=C(CCCC(=O)OC1CCCC1)Oc1cccc(C
l)c1 - Molecular Weight1
- 310.77
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -743.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 228.800 | ml/mol | McGowan Calculated Property |
| Inp | [2301.00; 2301.00] |
|
|
| Inp | 2301.00 | NIST | |
| Inp | 2301.00 | NIST | |
| Tfus | 297.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [655.39; 728.68] | J/mol×K | [766.49; 989.56] |
|
| Cp,gas | 655.39 | J/mol×K | 766.49 | Joback Calculated Property |
| Cp,gas | 670.90 | J/mol×K | 803.67 | Joback Calculated Property |
| Cp,gas | 685.05 | J/mol×K | 840.85 | Joback Calculated Property |
| Cp,gas | 697.87 | J/mol×K | 878.03 | Joback Calculated Property |
| Cp,gas | 709.39 | J/mol×K | 915.20 | Joback Calculated Property |
| Cp,gas | 719.65 | J/mol×K | 952.38 | Joback Calculated Property |
| Cp,gas | 728.68 | J/mol×K | 989.56 | Joback Calculated Property |
| η | [0.0000952; 0.0013508] | Pa×s | [434.50; 766.49] |
|
| η | 0.0013508 | Pa×s | 434.50 | Joback Calculated Property |
| η | 0.0006763 | Pa×s | 489.83 | Joback Calculated Property |
| η | 0.0003897 | Pa×s | 545.16 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 600.50 | Joback Calculated Property |
| η | 0.0001710 | Pa×s | 655.83 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 711.16 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 766.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl 3-chlorophenyl 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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