- InChI
- InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
- InChI Key
- JXTHNDFMNIQAHM-UHFFFAOYSA-N
- Formula
- C2H2Cl2O2
- SMILES
- O=C(O)C(Cl)Cl
- Molecular Weight1
- 128.94
- CAS
- 79-43-6
- Other Names
-
- 2,2-Dichloroacetic acid
- 2,2-dichloroethanoic acid
- Acetic acid, 2,2-dichloro-
- Bichloracetic acid
- DCA
- DCA (acid)
- DICHLOROACETIC ACID
- DICHLOROETHANOIC ACID
- Dichloracetic acid
- Dichlorethanoic acid
- Kyselina dichloroctova
- NSC 2654
- UN 1764
- Urner's liquid
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | [-624.00; -619.70] | kJ/mol |
|
| ΔcH°liquid | -624.00 ± 4.00 | kJ/mol | NIST |
| ΔcH°liquid | -619.70 | kJ/mol | NIST |
| ΔfG° | -326.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.85 | kJ/mol | Joback Calculated Property |
| log10WS | -0.67 | Crippen Calculated Property | |
| logPoct/wat | 0.875 | Crippen Calculated Property | |
| McVol | 70.960 | ml/mol | McGowan Calculated Property |
| Pc | 5730.52 | kPa | Joback Calculated Property |
| Tboil | 467.20 | K | NIST |
| Tc | 659.61 | K | Joback Calculated Property |
| Tfus | [283.95; 284.00] | K |
|
| Tfus | 284.00 ± 1.50 | K | NIST |
| Tfus | 283.95 ± 0.10 | K | NIST |
| Ttriple | 286.50 ± 0.20 | K | NIST |
| Vc | 0.265 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.54; 130.11] | J/mol×K | [465.63; 659.61] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 115 120 125 130 500 550 600 650 | ||||
| Cp,gas | 112.54 | J/mol×K | 465.63 | Joback Calculated Property |
| Cp,gas | 115.94 | J/mol×K | 497.96 | Joback Calculated Property |
| Cp,gas | 119.15 | J/mol×K | 530.29 | Joback Calculated Property |
| Cp,gas | 122.16 | J/mol×K | 562.62 | Joback Calculated Property |
| Cp,gas | 124.99 | J/mol×K | 594.95 | Joback Calculated Property |
| Cp,gas | 127.64 | J/mol×K | 627.28 | Joback Calculated Property |
| Cp,gas | 130.11 | J/mol×K | 659.61 | Joback Calculated Property |
| Cp,liquid | 207.00 | J/mol×K | 307.00 | NIST |
| Cp,solid | 182.30 | J/mol×K | 280.31 | NIST |
| η | [0.0003095; 0.0281388] | Pa×s | [267.89; 465.63] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 300 350 400 450 | ||||
| η | 0.0281388 | Pa×s | 267.89 | Joback Calculated Property |
| η | 0.0087913 | Pa×s | 300.85 | Joback Calculated Property |
| η | 0.0034560 | Pa×s | 333.80 | Joback Calculated Property |
| η | 0.0016068 | Pa×s | 366.76 | Joback Calculated Property |
| η | 0.0008476 | Pa×s | 399.72 | Joback Calculated Property |
| η | 0.0004929 | Pa×s | 432.67 | Joback Calculated Property |
| η | 0.0003095 | Pa×s | 465.63 | Joback Calculated Property |
| ΔfusH | [7.64; 12.34] | kJ/mol | [283.95; 286.50] |
|
| ΔfusH | 7.64 | kJ/mol | 283.95 | NIST |
| ΔfusH | 12.34 | kJ/mol | 286.50 | NIST |
| ΔfusH | 12.34 | kJ/mol | 286.50 | NIST |
| ΔfusH | 12.34 | kJ/mol | 286.50 | NIST |
| ΔvapH | 55.70 | kJ/mol | 392.50 | NIST |
| Pvap | [5.00; 40.00] | kPa | [384.30; 437.00] |
|
|
T(K) Vapor pressure (kPa) 5 10 15 20 25 30 35 40 400 420 | ||||
| Pvap | 5.00 | kPa | 384.30 | Isobari... |
| Pvap | 6.00 | kPa | 388.30 | Isobari... |
| Pvap | 7.00 | kPa | 391.80 | Isobari... |
| Pvap | 8.00 | kPa | 394.80 | Isobari... |
| Pvap | 9.00 | kPa | 397.60 | Isobari... |
| Pvap | 10.00 | kPa | 400.20 | Isobari... |
| Pvap | 11.00 | kPa | 402.40 | Isobari... |
| Pvap | 12.00 | kPa | 404.30 | Isobari... |
| Pvap | 13.00 | kPa | 406.40 | Isobari... |
| Pvap | 14.00 | kPa | 408.30 | Isobari... |
| Pvap | 15.00 | kPa | 410.10 | Isobari... |
| Pvap | 17.50 | kPa | 414.10 | Isobari... |
| Pvap | 20.00 | kPa | 417.50 | Isobari... |
| Pvap | 25.00 | kPa | 423.50 | Isobari... |
| Pvap | 30.00 | kPa | 428.60 | Isobari... |
| Pvap | 40.00 | kPa | 437.00 | Isobari... |
| ΔfusS | [26.90; 43.10] | J/mol×K | [283.95; 286.50] |
|
| ΔfusS | 26.90 | J/mol×K | 283.95 | NIST |
| ΔfusS | 43.10 | J/mol×K | 286.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [356.23; 493.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55903e+01 | |||
| Coefficient B | -4.30223e+03 | |||
| Coefficient C | -7.50870e+01 | |||
| Temperature range, min. | 356.23 | |||
| Temperature range, max. | 493.64 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 | ||||
| Pvap | 1.33 | kPa | 356.23 | Calculated Property |
| Pvap | 2.93 | kPa | 371.50 | Calculated Property |
| Pvap | 5.97 | kPa | 386.77 | Calculated Property |
| Pvap | 11.38 | kPa | 402.03 | Calculated Property |
| Pvap | 20.46 | kPa | 417.30 | Calculated Property |
| Pvap | 35.00 | kPa | 432.57 | Calculated Property |
| Pvap | 57.30 | kPa | 447.84 | Calculated Property |
| Pvap | 90.25 | kPa | 463.10 | Calculated Property |
| Pvap | 137.32 | kPa | 478.37 | Calculated Property |
| Pvap | 202.64 | kPa | 493.64 | Calculated Property |
| Pvap | [8.81e-03; 1299.14] | kPa | [286.55; 586.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.23660e+02 | |||
| Coefficient B | -1.17531e+04 | |||
| Coefficient C | -1.55582e+01 | |||
| Coefficient D | 7.93214e-06 | |||
| Temperature range, min. | 286.55 | |||
| Temperature range, max. | 586.00 | |||
|
T(K) Vapor pressure (kPa) 0 200 400 600 800 1000 1200 1400 300 400 500 | ||||
| Pvap | 8.81e-03 | kPa | 286.55 | Calculated Property |
| Pvap | 0.13 | kPa | 319.82 | Calculated Property |
| Pvap | 1.09 | kPa | 353.09 | Calculated Property |
| Pvap | 5.74 | kPa | 386.37 | Calculated Property |
| Pvap | 21.90 | kPa | 419.64 | Calculated Property |
| Pvap | 65.84 | kPa | 452.91 | Calculated Property |
| Pvap | 165.35 | kPa | 486.18 | Calculated Property |
| Pvap | 362.12 | kPa | 519.46 | Calculated Property |
| Pvap | 714.11 | kPa | 552.73 | Calculated Property |
| Pvap | 1299.14 | kPa | 586.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dichloro-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
- Isobaric low-pressure vapor liquid equilibrium data of the system monochloroacetic acid + dichloroacetic acid + diethylene glycol dipentyl ether and the constituent binary systems
- Isobaric Vapor-Liquid Equilibria for Binary Systems of Acetic Acid + Benzene, Chloroacetic Acid + Benzene, and Dichloroacetic Acid + Benzene at 101.33 kPa
- 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.