- InChI
- InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
- InChI Key
- FBCCMZVIWNDFMO-UHFFFAOYSA-N
- Formula
- C2HCl3O
- SMILES
- O=C(Cl)C(Cl)Cl
- Molecular Weight1
- 147.39
- CAS
- 79-36-7
- Other Names
-
- 2,2-Dichloroacetyl chloride
- ALPHA,ALPHA-DICHLORACETYL CHLORIDE
- Acetyl chloride, 2,2-dichloro-
- CHCl2COCl
- Chlorid kyseliny dichloroctove
- Chlorure de dichloracetyle
- Dichloracetyl chloride
- Dichloroacetic acid chloride
- Dichloroacetyl chloride
- Dichloroethanoyl chloride
- UN 1765
- «alpha»,«alpha»-Dichloroacetyl 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- 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 | 0.3043 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.00 ± 8.80 | kJ/mol | NIST |
| ΔfH°liquid | -281.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 11.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.00; 11.27] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.27 | eV | NIST |
| logPoct/wat | 1.556 | Crippen Calculated Property | |
| McVol | 77.330 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 3 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Inp | 726.00 | NIST | |
| Tboil | [378.00; 382.20] | K |
|
| Tboil | 380.70 | K | NIST |
| Tboil | 382.20 | K | NIST |
| Tboil | 378.00 ± 3.00 | K | NIST |
| Tboil | 381.20 ± 1.00 | K | NIST |
| Tboil | 381.00 ± 3.00 | K | NIST |
| Tc | 631.78 | K | Relay (1.0) Calculated Property |
| Tfus | 261.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.278 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.39; 121.66] | J/mol×K | [411.08; 623.31] |
|
| Cp,gas | 104.39 | J/mol×K | 411.08 | Joback Calculated Property |
| Cp,gas | 107.81 | J/mol×K | 446.45 | Joback Calculated Property |
| Cp,gas | 111.00 | J/mol×K | 481.82 | Joback Calculated Property |
| Cp,gas | 113.97 | J/mol×K | 517.19 | Joback Calculated Property |
| Cp,gas | 116.73 | J/mol×K | 552.56 | Joback Calculated Property |
| Cp,gas | 119.29 | J/mol×K | 587.94 | Joback Calculated Property |
| Cp,gas | 121.66 | J/mol×K | 623.31 | Joback Calculated Property |
| η | [0.0004716; 0.0047850] | Pa×s | [236.99; 411.08] |
|
| η | 0.0047850 | Pa×s | 236.99 | Joback Calculated Property |
| η | 0.0026344 | Pa×s | 266.00 | Joback Calculated Property |
| η | 0.0016310 | Pa×s | 295.02 | Joback Calculated Property |
| η | 0.0011004 | Pa×s | 324.04 | Joback Calculated Property |
| η | 0.0007920 | Pa×s | 353.05 | Joback Calculated Property |
| η | 0.0005992 | Pa×s | 382.07 | Joback Calculated Property |
| η | 0.0004716 | Pa×s | 411.08 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 214.06] | kPa | [284.26; 406.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49951e+01 | |||
| Coefficient B | -3.39864e+03 | |||
| Coefficient C | -5.31770e+01 | |||
| Temperature range, min. | 284.26 | |||
| Temperature range, max. | 406.14 | |||
| Pvap | 1.33 | kPa | 284.26 | Calculated Property |
| Pvap | 3.01 | kPa | 297.80 | Calculated Property |
| Pvap | 6.24 | kPa | 311.34 | Calculated Property |
| Pvap | 12.02 | kPa | 324.89 | Calculated Property |
| Pvap | 21.77 | kPa | 338.43 | Calculated Property |
| Pvap | 37.36 | kPa | 351.97 | Calculated Property |
| Pvap | 61.18 | kPa | 365.51 | Calculated Property |
| Pvap | 96.15 | kPa | 379.06 | Calculated Property |
| Pvap | 145.77 | kPa | 392.60 | Calculated Property |
| Pvap | 214.06 | kPa | 406.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl chloride, dichloro-.
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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