- InChI
- InChI=1S/C6H11ClO2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3
- InChI Key
- MCUHSYTVMNEJFT-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CCC(C)OC(=O)CCl
- Molecular Weight1
- 150.60
- CAS
- 17696-64-9
- Other Names
-
- Chloroacetic acid, 2-butyl ester
- Chloroacetic acid, sec-butyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -248.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [941.00; 941.00] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| I | [1362.00; 1362.00] |
|
|
| I | 1362.00 | NIST | |
| I | 1362.00 | NIST | |
| Tboil | 449.96 | K | Joback Calculated Property |
| Tc | 638.50 | K | Joback Calculated Property |
| Tfus | 244.46 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.04; 278.93] | J/mol×K | [449.96; 638.50] |
|
| Cp,gas | 225.04 | J/mol×K | 449.96 | Joback Calculated Property |
| Cp,gas | 234.96 | J/mol×K | 481.38 | Joback Calculated Property |
| Cp,gas | 244.50 | J/mol×K | 512.81 | Joback Calculated Property |
| Cp,gas | 253.66 | J/mol×K | 544.23 | Joback Calculated Property |
| Cp,gas | 262.46 | J/mol×K | 575.65 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 607.08 | Joback Calculated Property |
| Cp,gas | 278.93 | J/mol×K | 638.50 | Joback Calculated Property |
| η | [0.0002866; 0.0043249] | Pa×s | [244.46; 449.96] |
|
| η | 0.0043249 | Pa×s | 244.46 | Joback Calculated Property |
| η | 0.0020836 | Pa×s | 278.71 | Joback Calculated Property |
| η | 0.0011778 | Pa×s | 312.96 | Joback Calculated Property |
| η | 0.0007450 | Pa×s | 347.21 | Joback Calculated Property |
| η | 0.0005117 | Pa×s | 381.46 | Joback Calculated Property |
| η | 0.0003739 | Pa×s | 415.71 | Joback Calculated Property |
| η | 0.0002866 | Pa×s | 449.96 | Joback Calculated Property |
| ΔvapH | 49.60 | kJ/mol | 365.50 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-, 1-methylpropyl ester.
Sources
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