- InChI
- InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
- InChI Key
- FOCAUTSVDIKZOP-UHFFFAOYSA-N
- Formula
- C2H3ClO2
- SMILES
- O=C(O)CCl
- Molecular Weight1
- 94.50
- CAS
- 79-11-8
- Other Names
-
- ALPHA-CHLOROACETIC ACID
- Acetic acid, 2-chloro-
- Acide chloracetique
- Acide monochloracetique
- Acidomonocloroacetico
- CH2ClCOOH
- Chloracetic acid
- Chloroacetic acid
- Chloroethanoic acid
- Kyselina chloroctova
- MCA
- Monochloorazijnzuur
- Monochloracetic acid
- Monochloressigsaeure
- Monochloroacetic acid
- Monochloroethanoic acid
- NCI-C60231
- NSC 142
- UN 1751
- «alpha»-Chloroacetic acid
- «alpha»-Chloroacetic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 765.40 | kJ/mol | NIST |
| BasG | 734.50 | kJ/mol | NIST |
| ΔcH°solid | [-729.00; -726.80] | kJ/mol |
|
| ΔcH°solid | -729.00 ± 4.00 | kJ/mol | NIST |
| ΔcH°solid | -726.80 | kJ/mol | NIST |
| ΔfG° | -311.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.82 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.20 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 47.86 | kJ/mol | Joback Calculated Property |
| IE | [10.70; 10.99] | eV |
|
| IE | 10.70 | eV | NIST |
| IE | 10.99 | eV | NIST |
| log10WS | 0.94 | Aq. Sol... | |
| logPoct/wat | 0.310 | Crippen Calculated Property | |
| McVol | 58.720 | ml/mol | McGowan Calculated Property |
| Pc | 5990.66 | kPa | Joback Calculated Property |
| Tboil | [461.00; 462.50] | K |
|
| Tboil | 462.50 | K | KDB |
| Tboil | 462.20 | K | NIST |
| Tboil | Outlier 461.00 ± 0.07 | K | NIST |
| Tboil | 462.50 ± 0.30 | K | NIST |
| Tboil | 462.50 ± 0.35 | K | NIST |
| Tboil | 462.50 ± 0.50 | K | NIST |
| Tc | 611.88 | K | Joback Calculated Property |
| Tfus | [335.45; 335.53] | K |
|
| Tfus | 335.53 | K | Aq. Sol... |
| Tfus | 335.45 | K | KDB |
| Vc | 0.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.41; 114.31] | J/mol×K | [428.64; 611.88] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 95 100 105 110 115 450 500 550 600 | ||||
| Cp,gas | 95.41 | J/mol×K | 428.64 | Joback Calculated Property |
| Cp,gas | 98.95 | J/mol×K | 459.18 | Joback Calculated Property |
| Cp,gas | 102.33 | J/mol×K | 489.72 | Joback Calculated Property |
| Cp,gas | 105.55 | J/mol×K | 520.26 | Joback Calculated Property |
| Cp,gas | 108.62 | J/mol×K | 550.80 | Joback Calculated Property |
| Cp,gas | 111.53 | J/mol×K | 581.34 | Joback Calculated Property |
| Cp,gas | 114.31 | J/mol×K | 611.88 | Joback Calculated Property |
| Cp,liquid | 179.90 | J/mol×K | 321.05 | NIST |
| Cp,solid | 144.00 | J/mol×K | 303.00 | NIST |
| η | [0.0003619; 0.0258931] | Pa×s | [252.97; 428.64] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 250 300 350 400 | ||||
| η | 0.0258931 | Pa×s | 252.97 | Joback Calculated Property |
| η | 0.0087857 | Pa×s | 282.25 | Joback Calculated Property |
| η | 0.0036526 | Pa×s | 311.53 | Joback Calculated Property |
| η | 0.0017657 | Pa×s | 340.81 | Joback Calculated Property |
| η | 0.0009576 | Pa×s | 370.08 | Joback Calculated Property |
| η | 0.0005681 | Pa×s | 399.36 | Joback Calculated Property |
| η | 0.0003619 | Pa×s | 428.64 | Joback Calculated Property |
| ΔfusH | [13.93; 16.30] | kJ/mol | [329.16; 334.80] |
|
| ΔfusH | 13.93 | kJ/mol | 329.16 | NIST |
| ΔfusH | 16.30 | kJ/mol | 334.33 | NIST |
| ΔfusH | 16.30 | kJ/mol | 334.80 | NIST |
| ΔvapH | [55.70; 61.10] | kJ/mol | [399.50; 428.00] |
|
| ΔvapH | 61.10 | kJ/mol | 399.50 | NIST |
| ΔvapH | 56.80 | kJ/mol | 420.00 | NIST |
| ΔvapH | 55.70 | kJ/mol | 428.00 | NIST |
| Pvap | [5.00; 40.00] | kPa | [380.70; 432.60] |
|
|
T(K) Vapor pressure (kPa) 5 10 15 20 25 30 35 40 380 400 420 | ||||
| Pvap | 5.00 | kPa | 380.70 | Isobari... |
| Pvap | 6.00 | kPa | 384.70 | Isobari... |
| Pvap | 7.50 | kPa | 389.50 | Isobari... |
| Pvap | 8.00 | kPa | 391.00 | Isobari... |
| Pvap | 9.00 | kPa | 393.80 | Isobari... |
| Pvap | 10.00 | kPa | 396.30 | Isobari... |
| Pvap | 11.00 | kPa | 398.70 | Isobari... |
| Pvap | 12.00 | kPa | 400.70 | Isobari... |
| Pvap | 13.00 | kPa | 402.70 | Isobari... |
| Pvap | 14.00 | kPa | 404.60 | Isobari... |
| Pvap | 15.00 | kPa | 406.30 | Isobari... |
| Pvap | 17.50 | kPa | 410.20 | Isobari... |
| Pvap | 20.00 | kPa | 413.70 | Isobari... |
| Pvap | 25.00 | kPa | 419.50 | Isobari... |
| Pvap | 30.00 | kPa | 424.50 | Isobari... |
| Pvap | 40.00 | kPa | 432.60 | Isobari... |
| ΔfusS | [42.33; 48.74] | J/mol×K | [329.16; 334.33] |
|
| ΔfusS | 42.33 | J/mol×K | 329.16 | NIST |
| ΔfusS | 48.74 | J/mol×K | 334.33 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 204.73] | kPa | [351.55; 487.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53521e+01 | |||
| Coefficient B | -3.94767e+03 | |||
| Coefficient C | -9.44190e+01 | |||
| Temperature range, min. | 351.55 | |||
| Temperature range, max. | 487.99 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.00 | kPa | 351.55 | Calculated Property |
| Pvap | 2.35 | kPa | 366.71 | Calculated Property |
| Pvap | 5.05 | kPa | 381.87 | Calculated Property |
| Pvap | 10.04 | kPa | 397.03 | Calculated Property |
| Pvap | 18.71 | kPa | 412.19 | Calculated Property |
| Pvap | 32.94 | kPa | 427.35 | Calculated Property |
| Pvap | 55.21 | kPa | 442.51 | Calculated Property |
| Pvap | 88.63 | kPa | 457.67 | Calculated Property |
| Pvap | 136.98 | kPa | 472.83 | Calculated Property |
| Pvap | 204.73 | kPa | 487.99 | Calculated Property |
| Pvap | [0.36; 5643.78] | kPa | [333.15; 686.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.10585e+01 | |||
| Coefficient B | -1.04050e+04 | |||
| Coefficient C | -1.05382e+01 | |||
| Coefficient D | 3.33844e-06 | |||
| Temperature range, min. | 333.15 | |||
| Temperature range, max. | 686.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 400 500 600 | ||||
| Pvap | 0.36 | kPa | 333.15 | Calculated Property |
| Pvap | 3.30 | kPa | 372.36 | Calculated Property |
| Pvap | 18.22 | kPa | 411.56 | Calculated Property |
| Pvap | 70.50 | kPa | 450.77 | Calculated Property |
| Pvap | 209.95 | kPa | 489.97 | Calculated Property |
| Pvap | 514.09 | kPa | 529.18 | Calculated Property |
| Pvap | 1084.80 | kPa | 568.38 | Calculated Property |
| Pvap | 2041.38 | kPa | 607.59 | Calculated Property |
| Pvap | 3514.47 | kPa | 646.79 | Calculated Property |
| Pvap | 5643.78 | kPa | 686.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-.
Mixtures
Sources
- KDB Vapor Pressure Data
- 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
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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