- InChI
- InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
- InChI Key
- KUYMVWXKHQSIAS-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CC(C)(C)OC(=O)CCl
- Molecular Weight1
- 150.60
- CAS
- 107-59-5
- Other Names
-
- Acetic acid, chloro-, tert-butyl ester
- tert-Butyl Chloroacetate
- Chloroacetic acid tert-butyl ester
- ClCH2C(O)OC(CH3)3
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -243.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.20 | 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 | 3206.41 | kPa | Joback Calculated Property |
| Inp | 891.00 | NIST | |
| I | 1280.00 | NIST | |
| Tboil | 447.17 | K | Joback Calculated Property |
| Tc | 643.60 | K | Joback Calculated Property |
| Tfus | 261.88 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.74; 284.06] | J/mol×K | [447.17; 643.60] | 
|
| Cp,gas | 227.74 | J/mol×K | 447.17 | Joback Calculated Property |
| Cp,gas | 238.43 | J/mol×K | 479.91 | Joback Calculated Property |
| Cp,gas | 248.58 | J/mol×K | 512.65 | Joback Calculated Property |
| Cp,gas | 258.20 | J/mol×K | 545.38 | Joback Calculated Property |
| Cp,gas | 267.31 | J/mol×K | 578.12 | Joback Calculated Property |
| Cp,gas | 275.92 | J/mol×K | 610.86 | Joback Calculated Property |
| Cp,gas | 284.06 | J/mol×K | 643.60 | Joback Calculated Property |
| η | [0.0003084; 0.0042341] | Pa×s | [261.88; 447.17] |
|
| η | 0.0042341 | Pa×s | 261.88 | Joback Calculated Property |
| η | 0.0021735 | Pa×s | 292.76 | Joback Calculated Property |
| η | 0.0012671 | Pa×s | 323.64 | Joback Calculated Property |
| η | 0.0008115 | Pa×s | 354.52 | Joback Calculated Property |
| η | 0.0005582 | Pa×s | 385.41 | Joback Calculated Property |
| η | 0.0004059 | Pa×s | 416.29 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 447.17 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 321.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-, 1,1-dimethylethyl ester.
Sources
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