- InChI
- InChI=1S/C7H9Cl3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h3,5H,1,4H2,2H3
- InChI Key
- KCZJXGKHUZQAHL-UHFFFAOYSA-N
- Formula
- C7H9Cl3O2
- SMILES
- C=CCC(C)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 231.50
- 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° | -173.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 2.864 | Crippen Calculated Property | |
| McVol | 149.350 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | 1157.00 | NIST | |
| I | [1516.00; 1516.00] |
|
|
| I | 1516.00 | NIST | |
| I | 1516.00 | NIST | |
| Tboil | 541.15 | K | Joback Calculated Property |
| Tc | 754.73 | K | Joback Calculated Property |
| Tfus | 316.23 | K | Joback Calculated Property |
| Vc | 0.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.20; 350.83] | J/mol×K | [541.15; 754.73] |
|
| Cp,gas | 300.20 | J/mol×K | 541.15 | Joback Calculated Property |
| Cp,gas | 310.25 | J/mol×K | 576.75 | Joback Calculated Property |
| Cp,gas | 319.61 | J/mol×K | 612.34 | Joback Calculated Property |
| Cp,gas | 328.31 | J/mol×K | 647.94 | Joback Calculated Property |
| Cp,gas | 336.39 | J/mol×K | 683.54 | Joback Calculated Property |
| Cp,gas | 343.89 | J/mol×K | 719.13 | Joback Calculated Property |
| Cp,gas | 350.83 | J/mol×K | 754.73 | Joback Calculated Property |
| η | [0.0002425; 0.0036598] | Pa×s | [316.23; 541.15] |
|
| η | 0.0036598 | Pa×s | 316.23 | Joback Calculated Property |
| η | 0.0018319 | Pa×s | 353.72 | Joback Calculated Property |
| η | 0.0010470 | Pa×s | 391.20 | Joback Calculated Property |
| η | 0.0006599 | Pa×s | 428.69 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 466.18 | Joback Calculated Property |
| η | 0.0003222 | Pa×s | 503.66 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 541.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, trichloroacetate.
Sources
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