- InChI
- InChI=1S/C9H13ClO4/c1-6(11)7(2)14-9(13)5-3-4-8(10)12/h7H,3-5H2,1-2H3
- InChI Key
- VZGGHTAJHHLUOG-UHFFFAOYSA-N
- Formula
- C9H13ClO4
- SMILES
- CC(=O)C(C)OC(=O)CCCC(=O)Cl
- Molecular Weight1
- 220.65
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -833.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.19 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.443 | Crippen Calculated Property | |
| McVol | 160.490 | ml/mol | McGowan Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 508.37 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.68; 478.60] | 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 | 4.60430e+01 | |||
| Coefficient B | 7.60740e-01 | |||
| Coefficient C | -3.57400e-04 | |||
| Coefficient D | 2.92200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 271.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 378.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 429.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 449.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 466.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 478.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034273; 0.0002912] | Pa×s | [348.30; 563.40] |
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 | -1.21334e+01 | |||
| Coefficient B | 2.24912e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 348.30 | |||
| Temperature range, max. | 563.40 | |||
| η | 0.0034273 | Pa×s | 348.30 | Calculated Property |
| η | 0.0022639 | Pa×s | 372.20 | Calculated Property |
| η | 0.0015722 | Pa×s | 396.10 | Calculated Property |
| η | 0.0011381 | Pa×s | 420.00 | Calculated Property |
| η | 0.0008530 | Pa×s | 443.90 | Calculated Property |
| η | 0.0006585 | Pa×s | 467.80 | Calculated Property |
| η | 0.0005213 | Pa×s | 491.70 | Calculated Property |
| η | 0.0004217 | Pa×s | 515.60 | Calculated Property |
| η | 0.0003476 | Pa×s | 539.50 | Calculated Property |
| η | 0.0002912 | Pa×s | 563.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monochloride, 3-oxobut-2-yl 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
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