- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.05; 731.00] | 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 | -2.80370e+01 | |||
| Coefficient B | 1.41430e+00 | |||
| Coefficient C | -7.69360e-04 | |||
| Coefficient D | 1.14100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 381.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 450.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 512.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 565.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 612.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 651.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 684.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 710.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 731.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013508; 0.0001378] | Pa×s | [434.50; 692.69] |
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 | -1.27309e+01 | |||
| Coefficient B | 2.66082e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 434.50 | |||
| Temperature range, max. | 692.69 | |||
| η | 0.0013508 | Pa×s | 434.50 | Calculated Property |
| η | 0.0009244 | Pa×s | 463.19 | Calculated Property |
| η | 0.0006612 | Pa×s | 491.88 | Calculated Property |
| η | 0.0004908 | Pa×s | 520.56 | Calculated Property |
| η | 0.0003758 | Pa×s | 549.25 | Calculated Property |
| η | 0.0002955 | Pa×s | 577.94 | Calculated Property |
| η | 0.0002377 | Pa×s | 606.63 | Calculated Property |
| η | 0.0001950 | Pa×s | 635.32 | Calculated Property |
| η | 0.0001627 | Pa×s | 664.00 | Calculated Property |
| η | 0.0001378 | Pa×s | 692.69 | 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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