- InChI
- InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
- InChI Key
- YNJBWRMUSHSURL-UHFFFAOYSA-N
- Formula
- C2HCl3O2
- SMILES
- O=C(O)C(Cl)(Cl)Cl
- Molecular Weight1
- 163.39
- CAS
- 76-03-9
- Other Names
-
- Acetic acid, trichloro-
- Aceto-Caustin
- Amchem Grass Killer
- Trichloroethanoic acid
- TCA
- CCl3COOH
- Acide trichloracetique
- Acido tricloroacetico
- Trichloorazijnzuur
- Trichloracetic acid
- Trichloressigsaeure
- Konesta
- Kyselina trichloroctova
- UN 1839
- TKhUK
- TKhU
- Acetic acid, 2,2,2-trichloro-
- NSC 215204
- 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,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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 770.00 | kJ/mol | NIST |
| BasG | 739.10 | kJ/mol | NIST |
| ΔcH°solid | [-497.50; -490.80] | kJ/mol |
|
| ΔcH°solid | -497.50 ± 8.40 | kJ/mol | NIST |
| ΔcH°solid | -490.80 | kJ/mol | NIST |
| ΔfG° | -332.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.67 | kJ/mol | NIST |
| ΔfusH° | 11.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.441 | Crippen Calculated Property | |
| McVol | 83.200 | ml/mol | McGowan Calculated Property |
| Pc | 5511.44 | kPa | Joback Calculated Property |
| Inp | 1390.00 | NIST | |
| Tboil | [468.35; 470.70] | K |
|
| Tboil | 469.20 | K | NIST |
| Tboil | 470.70 | K | NIST |
| Tboil | 468.35 ± 0.50 | K | NIST |
| Tc | 708.15 | K | Joback Calculated Property |
| Tfus | [332.00; 332.31] | K |
|
| Tfus | 332.31 ± 0.07 | K | NIST |
| Tfus | 332.00 ± 1.50 | K | NIST |
| Tfus | 332.25 ± 0.10 | K | NIST |
| Vc | 0.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.55; 147.47] | J/mol×K | [500.27; 708.15] |
|
| Cp,gas | 132.55 | J/mol×K | 500.27 | Joback Calculated Property |
| Cp,gas | 135.84 | J/mol×K | 534.92 | Joback Calculated Property |
| Cp,gas | 138.78 | J/mol×K | 569.56 | Joback Calculated Property |
| Cp,gas | 141.38 | J/mol×K | 604.21 | Joback Calculated Property |
| Cp,gas | 143.67 | J/mol×K | 638.85 | Joback Calculated Property |
| Cp,gas | 145.69 | J/mol×K | 673.50 | Joback Calculated Property |
| Cp,gas | 147.47 | J/mol×K | 708.15 | Joback Calculated Property |
| Cp,solid | 314.00 | J/mol×K | 304.50 | NIST |
| η | [0.0002710; 0.0118413] | Pa×s | [315.23; 500.27] |
|
| η | 0.0118413 | Pa×s | 315.23 | Joback Calculated Property |
| η | 0.0047663 | Pa×s | 346.07 | Joback Calculated Property |
| η | 0.0022266 | Pa×s | 376.91 | Joback Calculated Property |
| η | 0.0011671 | Pa×s | 407.75 | Joback Calculated Property |
| η | 0.0006699 | Pa×s | 438.59 | Joback Calculated Property |
| η | 0.0004136 | Pa×s | 469.43 | Joback Calculated Property |
| η | 0.0002710 | Pa×s | 500.27 | Joback Calculated Property |
| ΔfusH | [5.88; 5.90] | kJ/mol | [330.70; 332.25] |
|
| ΔfusH | 5.88 | kJ/mol | 330.70 | NIST |
| ΔfusH | 5.88 | kJ/mol | 330.70 | NIST |
| ΔfusH | 5.90 | kJ/mol | 332.25 | NIST |
| ΔvapH | [57.20; 65.00] | kJ/mol | [399.50; 427.50] |
|
| ΔvapH | 65.00 | kJ/mol | 399.50 | NIST |
| ΔvapH | 57.20 | kJ/mol | 427.50 | NIST |
| ΔfusS | 17.75 | J/mol×K | 332.25 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.70 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Trichloroacetic Acid.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.