- InChI
- InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2
- InChI Key
- VGCXGMAHQTYDJK-UHFFFAOYSA-N
- Formula
- C2H2Cl2O
- SMILES
- O=C(Cl)CCl
- Molecular Weight1
- 112.94
- CAS
- 79-04-9
- Other Names
-
- Acetyl chloride, 2-chloro-
- CH2ClCOCl
- Chloracetyl chloride
- Chlorid kyseliny chloroctove
- Chloroacetic acid chloride
- Chloroacetic chloride
- Chloroacetyl chloride
- Chloroethanoyl chloride
- Chlorure de chloracetyle
- Monochloroacetyl chloride
- UN 1752
- «alpha»-Chloroacetyl chloride
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 | 0.3235 | Relay (1.0) Calculated Property | |
| ΔfG° | -186.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.00 ± 8.80 | kJ/mol | NIST |
| ΔfH°liquid | -285.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | NIST |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 65.090 | ml/mol | McGowan Calculated Property |
| Pc | 4952.36 | kPa | Joback Calculated Property |
| Inp | [622.00; 622.00] |
|
|
| Inp | 622.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 622.00 | NIST | |
| Tboil | [377.00; 383.15] | K |
|
| Tboil | 378.70 | K | NIST |
| Tboil | 379.00 ± 3.00 | K | NIST |
| Tboil | 378.00 ± 2.00 | K | NIST |
| Tboil | 378.00 ± 3.00 | K | NIST |
| Tboil | 381.00 ± 5.00 | K | NIST |
| Tboil | 380.00 | K | NIST |
| Tboil | 381.00 | K | NIST |
| Tboil | 381.00 ± 3.00 | K | NIST |
| Tboil | 380.00 ± 5.00 | K | NIST |
| Tboil | 378.00 ± 1.00 | K | NIST |
| Tboil | 377.00 ± 3.00 | K | NIST |
| Tboil | 379.00 | K | NIST |
| Tboil | Outlier 383.15 ± 3.00 | K | NIST |
| Tboil | 379.00 ± 3.00 | K | NIST |
| Tc | 609.39 | K | Relay (1.0) Calculated Property |
| Tfus | [251.38; 377.00] | K |
|
| Tfus | 377.00 | K | NIST |
| Tfus | 251.38 ± 0.07 | K | NIST |
| Vc | 0.235 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [87.46; 105.88] | J/mol×K | [374.09; 572.79] |
|
| Cp,gas | 87.46 | J/mol×K | 374.09 | Joback Calculated Property |
| Cp,gas | 90.96 | J/mol×K | 407.21 | Joback Calculated Property |
| Cp,gas | 94.28 | J/mol×K | 440.32 | Joback Calculated Property |
| Cp,gas | 97.43 | J/mol×K | 473.44 | Joback Calculated Property |
| Cp,gas | 100.41 | J/mol×K | 506.55 | Joback Calculated Property |
| Cp,gas | 103.22 | J/mol×K | 539.67 | Joback Calculated Property |
| Cp,gas | 105.88 | J/mol×K | 572.79 | Joback Calculated Property |
| η | [0.0004330; 0.0031682] | Pa×s | [222.07; 374.09] |
|
| η | 0.0031682 | Pa×s | 222.07 | Joback Calculated Property |
| η | 0.0019186 | Pa×s | 247.41 | Joback Calculated Property |
| η | 0.0012754 | Pa×s | 272.74 | Joback Calculated Property |
| η | 0.0009087 | Pa×s | 298.08 | Joback Calculated Property |
| η | 0.0006828 | Pa×s | 323.42 | Joback Calculated Property |
| η | 0.0005348 | Pa×s | 348.75 | Joback Calculated Property |
| η | 0.0004330 | Pa×s | 374.09 | Joback Calculated Property |
| ΔvapH | [40.80; 45.00] | kJ/mol | [316.00; 340.50] |
|
| ΔvapH | 45.00 | kJ/mol | 316.00 | NIST |
| ΔvapH | 44.10 | kJ/mol | 331.50 | NIST |
| ΔvapH | 40.80 | kJ/mol | 340.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 203.79] | kPa | [283.10; 402.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47993e+01 | |||
| Coefficient B | -3.27151e+03 | |||
| Coefficient C | -5.76630e+01 | |||
| Temperature range, min. | 283.10 | |||
| Temperature range, max. | 402.68 | |||
| Pvap | 1.33 | kPa | 283.10 | Calculated Property |
| Pvap | 2.99 | kPa | 296.39 | Calculated Property |
| Pvap | 6.16 | kPa | 309.67 | Calculated Property |
| Pvap | 11.80 | kPa | 322.96 | Calculated Property |
| Pvap | 21.24 | kPa | 336.25 | Calculated Property |
| Pvap | 36.25 | kPa | 349.53 | Calculated Property |
| Pvap | 59.06 | kPa | 362.82 | Calculated Property |
| Pvap | 92.37 | kPa | 376.11 | Calculated Property |
| Pvap | 139.39 | kPa | 389.39 | Calculated Property |
| Pvap | 203.79 | kPa | 402.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl chloride, chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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