- InChI
- InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H
- InChI Key
- NWQWQKUXRJYXFH-UHFFFAOYSA-N
- Formula
- C2H2Cl2O
- SMILES
- O=CC(Cl)Cl
- Molecular Weight1
- 112.94
- CAS
- 79-02-7
- Other Names
-
- 2,2-Dichloroacetaldehyde
- Acetaldehyde, 2,2-dichloro-
- Acetaldehyde,dichloro-
- CHCl2CHO
- Chloraldehyde
- Chloroaldehyde
- «alpha»,«alpha»-Dichloroacetaldehyde
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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 a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3437 | ChemSep v8.3 pure component data Compiled value | |
| μ | 2.36 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | -138.70 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -180.00 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 8.10 | kJ/mol | Joback Calculated Property |
| IE | [10.50; 10.83] | eV |
|
| IE | 10.50 | eV | NIST |
| IE | 10.83 | eV | NIST |
| logPoct/wat | 0.989 | Crippen Calculated Property | |
| McVol | 65.090 | ml/mol | McGowan Calculated Property |
| Pc | 4950.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 0.03 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | [362.00; 363.70] | K |
|
| Tboil | 362.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 363.70 | K | NIST |
| Tc | 555.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [223.00; 235.65] | K |
|
| Tfus | 235.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 223.00 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 223.00 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 2.63 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.06 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.239 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2560000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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 | [72.64; 133.51] | J/mol×K | [223.00; 1200.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.80250e+01 | |||
| Coefficient B | -8.73500e+02 | |||
| Coefficient C | 5.62924e+00 | |||
| Coefficient D | -8.67120e-04 | |||
| Coefficient E | 2.22980e-07 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 1200.00 | |||
| Cp,gas | 72.64 | J/mol×K | 223.00 | Calculated Property |
| Cp,gas | 83.38 | J/mol×K | 331.56 | Calculated Property |
| Cp,gas | 95.30 | J/mol×K | 440.11 | Calculated Property |
| Cp,gas | 105.68 | J/mol×K | 548.67 | Calculated Property |
| Cp,gas | 113.93 | J/mol×K | 657.22 | Calculated Property |
| Cp,gas | 120.24 | J/mol×K | 765.78 | Calculated Property |
| Cp,gas | 124.99 | J/mol×K | 874.33 | Calculated Property |
| Cp,gas | 128.59 | J/mol×K | 982.89 | Calculated Property |
| Cp,gas | 131.34 | J/mol×K | 1091.44 | Calculated Property |
| Cp,gas | 133.51 | J/mol×K | 1200.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [130.55; 153.03] | J/mol×K | [277.50; 407.50] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 7.98190e+01 | |||
| Coefficient B | -9.33880e+01 | |||
| Coefficient C | 3.53524e+00 | |||
| Coefficient D | 3.04920e-03 | |||
| Coefficient E | -1.53710e-06 | |||
| Temperature range, min. | 277.50 | |||
| Temperature range, max. | 407.50 | |||
| Cp,liquid | 130.55 | J/mol×K | 277.50 | Calculated Property |
| Cp,liquid | 133.05 | J/mol×K | 291.94 | Calculated Property |
| Cp,liquid | 135.54 | J/mol×K | 306.39 | Calculated Property |
| Cp,liquid | 138.04 | J/mol×K | 320.83 | Calculated Property |
| Cp,liquid | 140.54 | J/mol×K | 335.28 | Calculated Property |
| Cp,liquid | 143.04 | J/mol×K | 349.72 | Calculated Property |
| Cp,liquid | 145.54 | J/mol×K | 364.17 | Calculated Property |
| Cp,liquid | 148.04 | J/mol×K | 378.61 | Calculated Property |
| Cp,liquid | 150.54 | J/mol×K | 393.06 | Calculated Property |
| Cp,liquid | 153.03 | J/mol×K | 407.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0243846; 0.0000934] | Pa×s | [223.00; 455.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.90120e+01 | |||
| Coefficient B | 2.54840e+03 | |||
| Coefficient C | 7.30920e-01 | |||
| Coefficient D | -1.64520e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 455.00 | |||
| η | 0.0243846 | Pa×s | 223.00 | Calculated Property |
| η | 0.0079231 | Pa×s | 248.78 | Calculated Property |
| η | 0.0031832 | Pa×s | 274.56 | Calculated Property |
| η | 0.0014954 | Pa×s | 300.33 | Calculated Property |
| η | 0.0007908 | Pa×s | 326.11 | Calculated Property |
| η | 0.0004583 | Pa×s | 351.89 | Calculated Property |
| η | 0.0002854 | Pa×s | 377.67 | Calculated Property |
| η | 0.0001883 | Pa×s | 403.44 | Calculated Property |
| η | 0.0001301 | Pa×s | 429.22 | Calculated Property |
| η | 0.0000934 | Pa×s | 455.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [42.09; 13.80] | kJ/mol | [223.00; 537.53] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 5.43110e+01 | |||
| Coefficient B | 7.42870e-01 | |||
| Coefficient C | -9.77670e-01 | |||
| Coefficient D | 1.09200e+00 | |||
| Coefficient E | -4.66810e-01 | |||
| Critical temperature, Tc (K) | 5.55000e+02 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 537.53 | |||
| ΔvapH | 42.09 | kJ/mol | 223.00 | Calculated Property |
| ΔvapH | 40.30 | kJ/mol | 257.95 | Calculated Property |
| ΔvapH | 38.39 | kJ/mol | 292.90 | Calculated Property |
| ΔvapH | 36.33 | kJ/mol | 327.84 | Calculated Property |
| ΔvapH | 34.06 | kJ/mol | 362.79 | Calculated Property |
| ΔvapH | 31.53 | kJ/mol | 397.74 | Calculated Property |
| ΔvapH | 28.64 | kJ/mol | 432.69 | Calculated Property |
| ΔvapH | 25.21 | kJ/mol | 467.63 | Calculated Property |
| ΔvapH | 20.82 | kJ/mol | 502.58 | Calculated Property |
| ΔvapH | 13.80 | kJ/mol | 537.53 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [268.47; 387.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46568e+01 | |||
| Coefficient B | -3.17177e+03 | |||
| Coefficient C | -4.77390e+01 | |||
| Temperature range, min. | 268.47 | |||
| Temperature range, max. | 387.13 | |||
| Pvap | 1.33 | kPa | 268.47 | Calculated Property |
| Pvap | 3.00 | kPa | 281.65 | Calculated Property |
| Pvap | 6.18 | kPa | 294.84 | Calculated Property |
| Pvap | 11.83 | kPa | 308.02 | Calculated Property |
| Pvap | 21.30 | kPa | 321.21 | Calculated Property |
| Pvap | 36.31 | kPa | 334.39 | Calculated Property |
| Pvap | 59.06 | kPa | 347.58 | Calculated Property |
| Pvap | 92.21 | kPa | 360.76 | Calculated Property |
| Pvap | 138.88 | kPa | 373.95 | Calculated Property |
| Pvap | 202.62 | kPa | 387.13 | Calculated Property |
| Pvap | [0.03; 4934.46] | kPa | [223.00; 555.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.37121e+01 | |||
| Coefficient B | -7.23982e+03 | |||
| Coefficient C | -1.01924e+01 | |||
| Coefficient D | 7.27816e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 555.00 | |||
| Pvap | 0.03 | kPa | 223.00 | Calculated Property |
| Pvap | 0.72 | kPa | 259.89 | Calculated Property |
| Pvap | 6.91 | kPa | 296.78 | Calculated Property |
| Pvap | 36.80 | kPa | 333.67 | Calculated Property |
| Pvap | 132.40 | kPa | 370.56 | Calculated Property |
| Pvap | 363.71 | kPa | 407.44 | Calculated Property |
| Pvap | 826.21 | kPa | 444.33 | Calculated Property |
| Pvap | 1638.41 | kPa | 481.22 | Calculated Property |
| Pvap | 2945.79 | kPa | 518.11 | Calculated Property |
| Pvap | 4934.46 | kPa | 555.00 | Calculated Property |
| Pvap | [0.03; 4888.30] | kPa | [223.00; 555.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.23568e+01 | |||
| Coefficient B | -7.19495e+03 | |||
| Coefficient C | -9.97640e+00 | |||
| Coefficient D | 6.95470e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 555.00 | |||
| Pvap | 0.03 | kPa | 223.00 | Calculated Property |
| Pvap | 0.72 | kPa | 259.89 | Calculated Property |
| Pvap | 6.89 | kPa | 296.78 | Calculated Property |
| Pvap | 36.73 | kPa | 333.67 | Calculated Property |
| Pvap | 132.25 | kPa | 370.56 | Calculated Property |
| Pvap | 363.37 | kPa | 407.44 | Calculated Property |
| Pvap | 824.95 | kPa | 444.33 | Calculated Property |
| Pvap | 1633.37 | kPa | 481.22 | Calculated Property |
| Pvap | 2929.07 | kPa | 518.11 | Calculated Property |
| Pvap | 4888.30 | kPa | 555.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1536.65; 785.07] | kg/m3 | [223.00; 537.53] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 1.20792e+02 | |||
| Coefficient B | 2.55350e-01 | |||
| Coefficient C | 5.55000e+02 | |||
| Coefficient D | 2.86630e-01 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 537.53 | |||
| ρl | 1536.65 | kg/m3 | 223.00 | Calculated Property |
| ρl | 1480.88 | kg/m3 | 257.95 | Calculated Property |
| ρl | 1422.51 | kg/m3 | 292.90 | Calculated Property |
| ρl | 1360.94 | kg/m3 | 327.84 | Calculated Property |
| ρl | 1295.33 | kg/m3 | 362.79 | Calculated Property |
| ρl | 1224.41 | kg/m3 | 397.74 | Calculated Property |
| ρl | 1146.10 | kg/m3 | 432.69 | Calculated Property |
| ρl | 1056.54 | kg/m3 | 467.63 | Calculated Property |
| ρl | 947.00 | kg/m3 | 502.58 | Calculated Property |
| ρl | 785.07 | kg/m3 | 537.53 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.06; 0.00] | N/m | [223.00; 537.53] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.65070e-02 | |||
| Coefficient B | 1.02490e+02 | |||
| Coefficient C | -3.24270e+00 | |||
| Coefficient D | 2.48300e-03 | |||
| Coefficient E | -8.00570e-06 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 537.53 | |||
| γ | 0.06 | N/m | 223.00 | Calculated Property |
| γ | 0.05 | N/m | 257.95 | Calculated Property |
| γ | 0.04 | N/m | 292.90 | Calculated Property |
| γ | 0.03 | N/m | 327.84 | Calculated Property |
| γ | 0.03 | N/m | 362.79 | Calculated Property |
| γ | 0.02 | N/m | 397.74 | Calculated Property |
| γ | 0.02 | N/m | 432.69 | Calculated Property |
| γ | 0.01 | N/m | 467.63 | Calculated Property |
| γ | 0.01 | N/m | 502.58 | Calculated Property |
| γ | 0.00 | N/m | 537.53 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.04] | W/m×K | [223.00; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 4.23460e-04 | |||
| Coefficient B | 7.27590e-01 | |||
| Coefficient C | 6.09270e+02 | |||
| Coefficient D | 1.06450e+04 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 223.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 309.33 | Calculated Property |
| λgas | 0.01 | W/m×K | 395.67 | Calculated Property |
| λgas | 0.02 | W/m×K | 482.00 | Calculated Property |
| λgas | 0.02 | W/m×K | 568.33 | Calculated Property |
| λgas | 0.02 | W/m×K | 654.67 | Calculated Property |
| λgas | 0.03 | W/m×K | 741.00 | Calculated Property |
| λgas | 0.03 | W/m×K | 827.33 | Calculated Property |
| λgas | 0.04 | W/m×K | 913.67 | Calculated Property |
| λgas | 0.04 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.15; 0.11] | W/m×K | [223.00; 362.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -6.50900e-03 | |||
| Coefficient B | -4.57320e+01 | |||
| Coefficient C | -1.11210e+00 | |||
| Coefficient D | -2.34940e-03 | |||
| Coefficient E | -2.65740e-07 | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 362.00 | |||
| λliquid | 0.15 | W/m×K | 223.00 | Calculated Property |
| λliquid | 0.15 | W/m×K | 238.44 | Calculated Property |
| λliquid | 0.14 | W/m×K | 253.89 | Calculated Property |
| λliquid | 0.14 | W/m×K | 269.33 | Calculated Property |
| λliquid | 0.13 | W/m×K | 284.78 | Calculated Property |
| λliquid | 0.13 | W/m×K | 300.22 | Calculated Property |
| λliquid | 0.13 | W/m×K | 315.67 | Calculated Property |
| λliquid | 0.12 | W/m×K | 331.11 | Calculated Property |
| λliquid | 0.12 | W/m×K | 346.56 | Calculated Property |
| λliquid | 0.11 | W/m×K | 362.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dichloroacetaldehyde.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.