- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.99; 260.17] | J/mol×K | [467.43; 661.04] |
|
| Cp,gas | 214.99 | J/mol×K | 467.43 | Joback Calculated Property |
| Cp,gas | 223.44 | J/mol×K | 499.70 | Joback Calculated Property |
| Cp,gas | 231.53 | J/mol×K | 531.97 | Joback Calculated Property |
| Cp,gas | 239.27 | J/mol×K | 564.24 | Joback Calculated Property |
| Cp,gas | 246.63 | J/mol×K | 596.50 | Joback Calculated Property |
| Cp,gas | 253.60 | J/mol×K | 628.77 | Joback Calculated Property |
| Cp,gas | 260.17 | J/mol×K | 661.04 | Joback Calculated Property |
| η | [0.0002492; 0.0075957] | Pa×s | [245.69; 467.43] |
|
| η | 0.0075957 | Pa×s | 245.69 | Joback Calculated Property |
| η | 0.0029615 | Pa×s | 282.65 | Joback Calculated Property |
| η | 0.0014357 | Pa×s | 319.60 | Joback Calculated Property |
| η | 0.0008087 | Pa×s | 356.56 | Joback Calculated Property |
| η | 0.0005074 | Pa×s | 393.52 | Joback Calculated Property |
| η | 0.0003449 | Pa×s | 430.47 | Joback Calculated Property |
| η | 0.0002492 | Pa×s | 467.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl chloromalonate.
Sources
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