- InChI
- InChI=1S/C6H10Cl2O2/c7-3-1-2-4-10-6(9)5-8/h1-5H2
- InChI Key
- DQLULOGYMQTGQE-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- O=C(CCl)OCCCCCl
- Molecular Weight1
- 185.05
- Other Names
-
- 1-Butanol, 4-chloro, chloroacetate
- 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° | -258.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.787 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | [1241.00; 1251.00] |
|
|
| Inp | 1247.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1251.00 | NIST | |
| I | [1968.00; 2036.00] |
|
|
| I | 1968.00 | NIST | |
| I | 2010.00 | NIST | |
| I | 2017.00 | NIST | |
| I | 2028.00 | NIST | |
| I | 2036.00 | NIST | |
| Tboil | 487.83 | K | Joback Calculated Property |
| Tc | 678.17 | K | Joback Calculated Property |
| Tfus | 289.38 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.95; 298.78] | J/mol×K | [487.83; 678.17] |
|
| Cp,gas | 248.95 | J/mol×K | 487.83 | Joback Calculated Property |
| Cp,gas | 258.21 | J/mol×K | 519.55 | Joback Calculated Property |
| Cp,gas | 267.08 | J/mol×K | 551.28 | Joback Calculated Property |
| Cp,gas | 275.57 | J/mol×K | 583.00 | Joback Calculated Property |
| Cp,gas | 283.68 | J/mol×K | 614.72 | Joback Calculated Property |
| Cp,gas | 291.42 | J/mol×K | 646.44 | Joback Calculated Property |
| Cp,gas | 298.78 | J/mol×K | 678.17 | Joback Calculated Property |
| η | [0.0003070; 0.0028553] | Pa×s | [289.38; 487.83] |
|
| η | 0.0028553 | Pa×s | 289.38 | Joback Calculated Property |
| η | 0.0016272 | Pa×s | 322.45 | Joback Calculated Property |
| η | 0.0010297 | Pa×s | 355.53 | Joback Calculated Property |
| η | 0.0007043 | Pa×s | 388.61 | Joback Calculated Property |
| η | 0.0005113 | Pa×s | 421.68 | Joback Calculated Property |
| η | 0.0003889 | Pa×s | 454.75 | Joback Calculated Property |
| η | 0.0003070 | Pa×s | 487.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-chlorobutyl chloroacetate.
Sources
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