- InChI
- InChI=1S/C8H11Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3+
- InChI Key
- HIHSJHFAKCBBNH-ONEGZZNKSA-N
- Formula
- C8H11Cl3O2
- SMILES
- CCC=CCCOC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 245.53
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3838 | Relay (1.0) Calculated Property | |
| ΔfG° | -170.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 163.440 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | [1337.00; 1337.00] |
|
|
| Inp | 1337.00 | NIST | |
| Inp | 1337.00 | NIST | |
| I | 1721.00 | NIST | |
| Tboil | 496.19 | K | Relay (1.0) Calculated Property |
| Tc | 691.51 | K | Relay (1.0) Calculated Property |
| Tfus | 229.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.62; 398.14] | J/mol×K | [571.95; 782.40] |
|
| Cp,gas | 343.62 | J/mol×K | 571.95 | Joback Calculated Property |
| Cp,gas | 354.38 | J/mol×K | 607.03 | Joback Calculated Property |
| Cp,gas | 364.41 | J/mol×K | 642.10 | Joback Calculated Property |
| Cp,gas | 373.76 | J/mol×K | 677.18 | Joback Calculated Property |
| Cp,gas | 382.47 | J/mol×K | 712.25 | Joback Calculated Property |
| Cp,gas | 390.58 | J/mol×K | 747.33 | Joback Calculated Property |
| Cp,gas | 398.14 | J/mol×K | 782.40 | Joback Calculated Property |
| η | [0.0001863; 0.0024957] | Pa×s | [339.18; 571.95] |
|
| η | 0.0024957 | Pa×s | 339.18 | Joback Calculated Property |
| η | 0.0012971 | Pa×s | 377.98 | Joback Calculated Property |
| η | 0.0007615 | Pa×s | 416.77 | Joback Calculated Property |
| η | 0.0004895 | Pa×s | 455.57 | Joback Calculated Property |
| η | 0.0003372 | Pa×s | 494.36 | Joback Calculated Property |
| η | 0.0002453 | Pa×s | 533.15 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 571.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Hexen-1-ol, trichloroacetate.
Sources
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