- InChI
- InChI=1S/C3H3ClO2/c1-2(5)3(4)6/h1H3
- InChI Key
- AUUTXOKCFQTKPL-UHFFFAOYSA-N
- Formula
- C3H3ClO2
- SMILES
- CC(=O)C(=O)Cl
- Molecular Weight1
- 106.51
- CAS
- 5704-66-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3628 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.341 | Crippen Calculated Property | |
| McVol | 68.510 | ml/mol | McGowan Calculated Property |
| Pc | 4980.35 | kPa | Joback Calculated Property |
| Tboil | 368.14 | K | Relay (1.0) Calculated Property |
| Tc | 607.68 | K | Relay (1.0) Calculated Property |
| Tfus | 256.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.38; 160.41] | 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 | 2.77700e+01 | |||
| Coefficient B | 2.39620e-01 | |||
| Coefficient C | -1.22400e-04 | |||
| Coefficient D | 1.54200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 97.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 110.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 120.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 130.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 138.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 145.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 151.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 156.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 160.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030071; 0.0003885] | Pa×s | [253.35; 431.30] |
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 | -1.07668e+01 | |||
| Coefficient B | 1.25662e+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. | 253.35 | |||
| Temperature range, max. | 431.30 | |||
| η | 0.0030071 | Pa×s | 253.35 | Calculated Property |
| η | 0.0020999 | Pa×s | 273.12 | Calculated Property |
| η | 0.0015393 | Pa×s | 292.90 | Calculated Property |
| η | 0.0011735 | Pa×s | 312.67 | Calculated Property |
| η | 0.0009240 | Pa×s | 332.44 | Calculated Property |
| η | 0.0007473 | Pa×s | 352.21 | Calculated Property |
| η | 0.0006182 | Pa×s | 371.99 | Calculated Property |
| η | 0.0005213 | Pa×s | 391.76 | Calculated Property |
| η | 0.0004469 | Pa×s | 411.53 | Calculated Property |
| η | 0.0003885 | Pa×s | 431.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyruvyl chloride or 2-oxo-propionyl chloride.
Sources
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