- 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
- DICHLOROACETIC ACID CHLORIDE
- Dichloracetyl chloride
- Dichloroacetyl chloride
- Dichloroethanoyl chloride
- UN 1765
- «alpha»,«alpha»-Dichloroacetyl chloride
- «alpha»,«alpha»-Dichloroacetyl chloride
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| 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° | 39.56 | kJ/mol | Joback Calculated Property |
| IE | [11.00; 11.27] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.27 | eV | NIST |
| log10WS | -1.50 | Crippen Calculated Property | |
| 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 | 623.00 | K | Joback Calculated Property |
| Tfus | 236.99 | K | Joback Calculated Property |
| Vc | 0.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.37; 121.64] | J/mol×K | [410.88; 623.00] |
|
| Cp,gas | 104.37 | J/mol×K | 410.88 | Joback Calculated Property |
| Cp,gas | 107.79 | J/mol×K | 446.23 | Joback Calculated Property |
| Cp,gas | 110.98 | J/mol×K | 481.59 | Joback Calculated Property |
| Cp,gas | 113.95 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 116.71 | J/mol×K | 552.30 | Joback Calculated Property |
| Cp,gas | 119.27 | J/mol×K | 587.65 | Joback Calculated Property |
| Cp,gas | 121.64 | J/mol×K | 623.00 | Joback Calculated Property |
| η | [0.0004723; 0.0047850] | Pa×s | [236.99; 410.88] |
|
| η | 0.0047850 | Pa×s | 236.99 | Joback Calculated Property |
| η | 0.0026360 | Pa×s | 265.97 | Joback Calculated Property |
| η | 0.0016327 | Pa×s | 294.95 | Joback Calculated Property |
| η | 0.0011017 | Pa×s | 323.94 | Joback Calculated Property |
| η | 0.0007931 | Pa×s | 352.92 | Joback Calculated Property |
| η | 0.0006001 | Pa×s | 381.90 | Joback Calculated Property |
| η | 0.0004723 | Pa×s | 410.88 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 214.06] | kPa | [284.26; 406.14] |
The Yaw...
|
| 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
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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