- InChI
- InChI=1S/C6H8Cl2O2/c1-2-3-4-10-6(9)5(7)8/h2,5H,1,3-4H2
- InChI Key
- UHMUQRQTBDMYQV-UHFFFAOYSA-N
- Formula
- C6H8Cl2O2
- SMILES
- C=CCCOC(=O)C(Cl)Cl
- Molecular Weight1
- 183.03
- 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° | -172.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.909 | Crippen Calculated Property | |
| McVol | 123.020 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Inp | [1042.00; 1042.00] |
|
|
| Inp | 1042.00 | NIST | |
| Inp | 1042.00 | NIST | |
| I | 1576.00 | NIST | |
| Tboil | 484.07 | K | Joback Calculated Property |
| Tc | 682.73 | K | Joback Calculated Property |
| Tfus | 272.62 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.13; 278.72] | J/mol×K | [484.07; 682.73] |
|
| Cp,gas | 232.13 | J/mol×K | 484.07 | Joback Calculated Property |
| Cp,gas | 240.92 | J/mol×K | 517.18 | Joback Calculated Property |
| Cp,gas | 249.29 | J/mol×K | 550.29 | Joback Calculated Property |
| Cp,gas | 257.25 | J/mol×K | 583.40 | Joback Calculated Property |
| Cp,gas | 264.80 | J/mol×K | 616.51 | Joback Calculated Property |
| Cp,gas | 271.96 | J/mol×K | 649.62 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 682.73 | Joback Calculated Property |
| η | [0.0002952; 0.0035892] | Pa×s | [272.62; 484.07] |
|
| η | 0.0035892 | Pa×s | 272.62 | Joback Calculated Property |
| η | 0.0018651 | Pa×s | 307.86 | Joback Calculated Property |
| η | 0.0011087 | Pa×s | 343.10 | Joback Calculated Property |
| η | 0.0007261 | Pa×s | 378.35 | Joback Calculated Property |
| η | 0.0005111 | Pa×s | 413.59 | Joback Calculated Property |
| η | 0.0003802 | Pa×s | 448.83 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 484.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, dichloroacetate.
Sources
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