- InChI
- InChI=1S/C9H7Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- WGXLSZQUOYSATB-UHFFFAOYSA-N
- Formula
- C9H7Cl3O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)c1ccccc1
- Molecular Weight1
- 253.51
- CAS
- 37934-99-9
- Other Names
-
- Trichloroethyl benzoate
- Benzoic acid, 2,2,2-trichloroethyl ester
- 2,2,2-Trichloroethyl benzoate
- 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.
- I : 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° | -129.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 158.070 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [1523.00; 1552.00] |
|
|
| Inp | 1530.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1542.00 | NIST | |
| I | [2159.00; 2239.00] |
|
|
| I | 2199.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2159.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2159.00 | NIST | |
| Tboil | 617.35 | K | Joback Calculated Property |
| Tc | 860.55 | K | Joback Calculated Property |
| Tfus | 381.95 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.31; 381.49] | J/mol×K | [617.35; 860.55] |
|
| Cp,gas | 331.31 | J/mol×K | 617.35 | Joback Calculated Property |
| Cp,gas | 341.86 | J/mol×K | 657.88 | Joback Calculated Property |
| Cp,gas | 351.45 | J/mol×K | 698.42 | Joback Calculated Property |
| Cp,gas | 360.15 | J/mol×K | 738.95 | Joback Calculated Property |
| Cp,gas | 368.01 | J/mol×K | 779.48 | Joback Calculated Property |
| Cp,gas | 375.11 | J/mol×K | 820.01 | Joback Calculated Property |
| Cp,gas | 381.49 | J/mol×K | 860.55 | Joback Calculated Property |
| η | [0.0001867; 0.0018809] | Pa×s | [381.95; 617.35] |
|
| η | 0.0018809 | Pa×s | 381.95 | Joback Calculated Property |
| η | 0.0010697 | Pa×s | 421.18 | Joback Calculated Property |
| η | 0.0006698 | Pa×s | 460.42 | Joback Calculated Property |
| η | 0.0004514 | Pa×s | 499.65 | Joback Calculated Property |
| η | 0.0003222 | Pa×s | 538.88 | Joback Calculated Property |
| η | 0.0002407 | Pa×s | 578.12 | Joback Calculated Property |
| η | 0.0001867 | Pa×s | 617.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2,2,2-trichloro-, benzoate.
Sources
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