- InChI
- InChI=1S/C10H17ClO4/c1-4-10(5-2,8(11)12)9(13)15-7-6-14-3/h4-7H2,1-3H3
- InChI Key
- UPMSXHDZLSIVJZ-UHFFFAOYSA-N
- Formula
- C10H17ClO4
- SMILES
- CCC(CC)(C(=O)Cl)C(=O)OCCOC
- Molecular Weight1
- 236.69
- 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).
- Tc : Critical Temperature (K).
- 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 | -802.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.91 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.748 | Crippen Calculated Property | |
| McVol | 178.880 | ml/mol | McGowan Calculated Property |
| Inp | [1354.00; 1354.00] |
|
|
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Tboil | 522.28 | K | Relay (1.0) Calculated Property |
| Tc | 709.57 | K | Relay (1.0) Calculated Property |
| Tfus | 286.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [262.23; 560.60] | 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 | 4.04840e+01 | |||
| Coefficient B | 9.40460e-01 | |||
| Coefficient C | -4.88100e-04 | |||
| Coefficient D | 6.77600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 315.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 362.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 404.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 442.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 474.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 502.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 525.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 545.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 560.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025710; 0.0002013] | Pa×s | [349.29; 552.13] |
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 | -1.28972e+01 | |||
| Coefficient B | 2.42190e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 349.29 | |||
| Temperature range, max. | 552.13 | |||
| η | 0.0025710 | Pa×s | 349.29 | Calculated Property |
| η | 0.0016888 | Pa×s | 371.83 | Calculated Property |
| η | 0.0011639 | Pa×s | 394.37 | Calculated Property |
| η | 0.0008351 | Pa×s | 416.90 | Calculated Property |
| η | 0.0006199 | Pa×s | 439.44 | Calculated Property |
| η | 0.0004738 | Pa×s | 461.98 | Calculated Property |
| η | 0.0003712 | Pa×s | 484.52 | Calculated Property |
| η | 0.0002973 | Pa×s | 507.05 | Calculated Property |
| η | 0.0002426 | Pa×s | 529.59 | Calculated Property |
| η | 0.0002013 | Pa×s | 552.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 2-methoxyethyl 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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