- InChI
- InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
- InChI Key
- LNBQBURECUEBKZ-UHFFFAOYSA-N
- Formula
- C5H7ClO4
- SMILES
- COC(=O)C(Cl)C(=O)OC
- Molecular Weight1
- 166.56
- CAS
- 28868-76-0
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4495 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -790.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.060 | Crippen Calculated Property | |
| McVol | 108.430 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [1018.00; 1018.00] |
|
|
| Inp | 1018.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Tboil | 457.83 | K | Relay (1.0) Calculated Property |
| Tc | 650.15 | K | Relay (1.0) Calculated Property |
| Tfus | 276.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [157.32; 302.31] | 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 | 6.03700e+01 | |||
| Coefficient B | 3.81940e-01 | |||
| Coefficient C | -8.26000e-05 | |||
| Coefficient D | -5.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 227.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 246.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 277.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 297.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075957; 0.0002589] | Pa×s | [245.69; 462.73] |
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 | -1.20836e+01 | |||
| Coefficient B | 1.76982e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 245.69 | |||
| Temperature range, max. | 462.73 | |||
| η | 0.0075957 | Pa×s | 245.69 | Calculated Property |
| η | 0.0039898 | Pa×s | 269.81 | Calculated Property |
| η | 0.0023292 | Pa×s | 293.92 | Calculated Property |
| η | 0.0014754 | Pa×s | 318.04 | Calculated Property |
| η | 0.0009967 | Pa×s | 342.15 | Calculated Property |
| η | 0.0007090 | Pa×s | 366.27 | Calculated Property |
| η | 0.0005261 | Pa×s | 390.38 | Calculated Property |
| η | 0.0004041 | Pa×s | 414.50 | Calculated Property |
| η | 0.0003195 | Pa×s | 438.61 | Calculated Property |
| η | 0.0002589 | Pa×s | 462.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl chloromalonate.
Sources
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