- InChI
- InChI=1S/C3H3Br3O2/c1-8-2(7)3(4,5)6/h1H3
- InChI Key
- QQHSHLKOWBDOFC-UHFFFAOYSA-N
- Formula
- C3H3Br3O2
- SMILES
- COC(=O)C(Br)(Br)Br
- Molecular Weight1
- 310.77
- CAS
- 3222-05-7
- Other Names
-
- Methyl tribromoacetate
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
- 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° | -213.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.998 | Crippen Calculated Property | |
| McVol | 113.070 | ml/mol | McGowan Calculated Property |
| Pc | 6567.04 | kPa | Joback Calculated Property |
| Inp | 1174.00 | NIST | |
| Tboil | 539.58 | K | Joback Calculated Property |
| Tc | 791.04 | K | Joback Calculated Property |
| Tfus | 377.55 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.45; 198.76] | J/mol×K | [539.58; 791.04] | 
|
| Cp,gas | 175.45 | J/mol×K | 539.58 | Joback Calculated Property |
| Cp,gas | 180.54 | J/mol×K | 581.49 | Joback Calculated Property |
| Cp,gas | 185.07 | J/mol×K | 623.40 | Joback Calculated Property |
| Cp,gas | 189.10 | J/mol×K | 665.31 | Joback Calculated Property |
| Cp,gas | 192.69 | J/mol×K | 707.22 | Joback Calculated Property |
| Cp,gas | 195.88 | J/mol×K | 749.13 | Joback Calculated Property |
| Cp,gas | 198.76 | J/mol×K | 791.04 | Joback Calculated Property |
| η | [0.0003654; 0.0018751] | Pa×s | [377.55; 539.58] |
|
| η | 0.0018751 | Pa×s | 377.55 | Joback Calculated Property |
| η | 0.0013036 | Pa×s | 404.56 | Joback Calculated Property |
| η | 0.0009485 | Pa×s | 431.56 | Joback Calculated Property |
| η | 0.0007164 | Pa×s | 458.56 | Joback Calculated Property |
| η | 0.0005583 | Pa×s | 485.57 | Joback Calculated Property |
| η | 0.0004467 | Pa×s | 512.57 | Joback Calculated Property |
| η | 0.0003654 | Pa×s | 539.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tribromoacetic acid, methyl ester.
Sources
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