- InChI
- InChI=1S/C6H9Cl3O2/c1-2-3-4(7)11-6(10)5(8)9/h4-5H,2-3H2,1H3
- InChI Key
- UGNFWJQEXFOHBR-UHFFFAOYSA-N
- Formula
- C6H9Cl3O2
- SMILES
- CCCC(Cl)OC(=O)C(Cl)Cl
- Molecular Weight1
- 219.49
- Other Names
-
- 1-Butanol, 1-chloro, dichloroacetate
- 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 | 0.4773 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Inp | [1156.00; 1173.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1173.00 | NIST | |
| I | [1709.00; 1734.00] |
|
|
| I | 1709.00 | NIST | |
| I | 1729.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1734.00 | NIST | |
| I | 1733.00 | NIST | |
| Tboil | 473.52 | K | Relay (1.0) Calculated Property |
| Tc | 682.96 | K | Relay (1.0) Calculated Property |
| Tfus | 234.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.66; 321.66] | J/mol×K | [524.38; 728.53] |
|
| Cp,gas | 272.66 | J/mol×K | 524.38 | Joback Calculated Property |
| Cp,gas | 281.98 | J/mol×K | 558.41 | Joback Calculated Property |
| Cp,gas | 290.84 | J/mol×K | 592.43 | Joback Calculated Property |
| Cp,gas | 299.23 | J/mol×K | 626.46 | Joback Calculated Property |
| Cp,gas | 307.16 | J/mol×K | 660.48 | Joback Calculated Property |
| Cp,gas | 314.64 | J/mol×K | 694.51 | Joback Calculated Property |
| Cp,gas | 321.66 | J/mol×K | 728.53 | Joback Calculated Property |
| η | [0.0002651; 0.0045405] | Pa×s | [289.30; 524.38] |
|
| η | 0.0045405 | Pa×s | 289.30 | Joback Calculated Property |
| η | 0.0021323 | Pa×s | 328.48 | Joback Calculated Property |
| η | 0.0011764 | Pa×s | 367.66 | Joback Calculated Property |
| η | 0.0007278 | Pa×s | 406.84 | Joback Calculated Property |
| η | 0.0004899 | Pa×s | 446.02 | Joback Calculated Property |
| η | 0.0003515 | Pa×s | 485.20 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 524.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-chlorobutyl dichloroacetate.
Sources
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