- InChI
- InChI=1S/C5H4Cl2O2/c1-2-3-9-5(8)4(6)7/h1,4H,3H2
- InChI Key
- ULEHAVSVSRGUEN-UHFFFAOYSA-N
- Formula
- C5H4Cl2O2
- SMILES
- C#CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 166.99
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.3506 | Relay (... Calculated Property | |
| ΔfG° | -45.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.96 | kJ/mol | Relay (... Calculated Property |
| IE | 10.79 | eV | Relay (... Calculated Property |
| log10WS | -1.42 | Relay (... Calculated Property | |
| logPoct/wat | 0.966 | Crippen Calculated Property | |
| McVol | 104.630 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Inp | [962.00; 962.00] |
|
|
| Inp | 962.00 | NIST | |
| Inp | 962.00 | NIST | |
| I | [1720.00; 1720.00] |
|
|
| I | 1720.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 450.35 | K | Relay (... Calculated Property |
| Tc | 665.59 | K | Relay (... Calculated Property |
| Tfus | 274.27 | K | Relay (... Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.64; 213.45] | J/mol×K | [454.63; 666.28] |
|
| Cp,gas | 180.64 | J/mol×K | 454.63 | Joback Calculated Property |
| Cp,gas | 186.89 | J/mol×K | 489.91 | Joback Calculated Property |
| Cp,gas | 192.82 | J/mol×K | 525.18 | Joback Calculated Property |
| Cp,gas | 198.43 | J/mol×K | 560.46 | Joback Calculated Property |
| Cp,gas | 203.74 | J/mol×K | 595.73 | Joback Calculated Property |
| Cp,gas | 208.74 | J/mol×K | 631.01 | Joback Calculated Property |
| Cp,gas | 213.45 | J/mol×K | 666.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyl-1-ol, dichloroacetate.
Sources
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