- InChI
- InChI=1S/C2Cl4O/c3-1(7)2(4,5)6
- InChI Key
- PVFOMCVHYWHZJE-UHFFFAOYSA-N
- Formula
- C2Cl4O
- SMILES
- O=C(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 181.83
- CAS
- 76-02-8
- Other Names
-
- Acetyl chloride, 2,2,2-trichloro-
- Acetyl chloride, trichloro-
- CCl3COCl
- NSC 190466
- Superpalite
- Trichloroacetic acid chloride
- Trichloroacetochloride
- UN 2442
- 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 |
|---|---|---|---|
| ΔfG° | -207.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.00 | kJ/mol | NIST |
| ΔfH°liquid | -235.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 11.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.04 | kJ/mol | Joback Calculated Property |
| IE | [11.00; 11.31] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.31 | eV | NIST |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.122 | Crippen Calculated Property | |
| McVol | 89.570 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Inp | [778.00; 778.00] |
|
|
| Inp | 778.00 | NIST | |
| Inp | 778.00 | NIST | |
| Tboil | [388.20; 391.20] | K |
|
| Tboil | 388.20 | K | NIST |
| Tboil | 391.20 | K | NIST |
| Tboil | 391.00 ± 3.00 | K | NIST |
| Tc | 674.88 | K | Joback Calculated Property |
| Tfus | 216.20 ± 0.10 | K | NIST |
| Vc | 0.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.95; 139.32] | J/mol×K | [445.52; 674.88] |
|
| Cp,gas | 123.95 | J/mol×K | 445.52 | Joback Calculated Property |
| Cp,gas | 127.54 | J/mol×K | 483.75 | Joback Calculated Property |
| Cp,gas | 130.67 | J/mol×K | 521.97 | Joback Calculated Property |
| Cp,gas | 133.38 | J/mol×K | 560.20 | Joback Calculated Property |
| Cp,gas | 135.70 | J/mol×K | 598.43 | Joback Calculated Property |
| Cp,gas | 137.66 | J/mol×K | 636.65 | Joback Calculated Property |
| Cp,gas | 139.32 | J/mol×K | 674.88 | Joback Calculated Property |
| η | [0.0005273; 0.0044194] | Pa×s | [284.33; 445.52] |
|
| η | 0.0044194 | Pa×s | 284.33 | Joback Calculated Property |
| η | 0.0026611 | Pa×s | 311.20 | Joback Calculated Property |
| η | 0.0017369 | Pa×s | 338.06 | Joback Calculated Property |
| η | 0.0012071 | Pa×s | 364.93 | Joback Calculated Property |
| η | 0.0008819 | Pa×s | 391.79 | Joback Calculated Property |
| η | 0.0006708 | Pa×s | 418.65 | Joback Calculated Property |
| η | 0.0005273 | Pa×s | 445.52 | Joback Calculated Property |
| ΔvapH | 38.30 | kJ/mol | 349.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [288.40; 416.43] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46675e+01 | |||
| Coefficient B | -3.42845e+03 | |||
| Coefficient C | -4.99830e+01 | |||
| Temperature range, min. | 288.40 | |||
| Temperature range, max. | 416.43 | |||
| Pvap | 1.33 | kPa | 288.40 | Calculated Property |
| Pvap | 3.00 | kPa | 302.63 | Calculated Property |
| Pvap | 6.18 | kPa | 316.85 | Calculated Property |
| Pvap | 11.83 | kPa | 331.08 | Calculated Property |
| Pvap | 21.29 | kPa | 345.30 | Calculated Property |
| Pvap | 36.30 | kPa | 359.53 | Calculated Property |
| Pvap | 59.05 | kPa | 373.75 | Calculated Property |
| Pvap | 92.21 | kPa | 387.98 | Calculated Property |
| Pvap | 138.90 | kPa | 402.20 | Calculated Property |
| Pvap | 202.68 | kPa | 416.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetyl chloride.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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