- InChI
- InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
- InChI Key
- VODRWDBLLGYRJT-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CC(C)OC(=O)CCl
- Molecular Weight1
- 136.58
- CAS
- 105-48-6
- Other Names
-
- Acetic acid, chloro-, 1-methylethyl ester
- Acetic acid, chloro-, isopropyl ester
- Chloroacetic acid isopropyl ester
- Chloroacetic acid, 1-methyl ester
- Isopropyl chloroacetate
- Monochloroacetic acid isopropyl ester
- UN 2947
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | -2733.00 | kJ/mol | NIST |
| ΔcH°solid | -2735.00 ± 8.00 | kJ/mol | NIST |
| ΔfG° | -257.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.00 | kJ/mol | NIST |
| log10WS | -1.04 | Crippen Calculated Property | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Inp | [845.00; 891.00] |
|
|
| Inp | 850.70 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 845.00 | NIST | |
| I | [1280.00; 1280.00] |
|
|
| I | 1280.00 | NIST | |
| I | 1280.00 | NIST | |
| Tboil | 423.70 | K | NIST |
| Tc | 617.43 | K | Joback Calculated Property |
| Tfus | 233.19 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.92; 233.77] | J/mol×K | [427.08; 617.43] |
|
| Cp,gas | 186.92 | J/mol×K | 427.08 | Joback Calculated Property |
| Cp,gas | 195.50 | J/mol×K | 458.81 | Joback Calculated Property |
| Cp,gas | 203.77 | J/mol×K | 490.53 | Joback Calculated Property |
| Cp,gas | 211.73 | J/mol×K | 522.26 | Joback Calculated Property |
| Cp,gas | 219.39 | J/mol×K | 553.98 | Joback Calculated Property |
| Cp,gas | 226.73 | J/mol×K | 585.71 | Joback Calculated Property |
| Cp,gas | 233.77 | J/mol×K | 617.43 | Joback Calculated Property |
| η | [0.0003024; 0.0042591] | Pa×s | [233.19; 427.08] |
|
| η | 0.0042591 | Pa×s | 233.19 | Joback Calculated Property |
| η | 0.0020958 | Pa×s | 265.50 | Joback Calculated Property |
| η | 0.0012028 | Pa×s | 297.82 | Joback Calculated Property |
| η | 0.0007696 | Pa×s | 330.13 | Joback Calculated Property |
| η | 0.0005332 | Pa×s | 362.45 | Joback Calculated Property |
| η | 0.0003923 | Pa×s | 394.76 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 427.08 | Joback Calculated Property |
| ΔvapH | 44.30 | kJ/mol | 366.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.15; 202.65] | kPa | [271.15; 488.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49438e+01 | |||
| Coefficient B | -4.87503e+03 | |||
| Coefficient C | 1.78690e+01 | |||
| Temperature range, min. | 271.15 | |||
| Temperature range, max. | 488.24 | |||
| Pvap | 0.15 | kPa | 271.15 | Calculated Property |
| Pvap | 0.54 | kPa | 295.27 | Calculated Property |
| Pvap | 1.63 | kPa | 319.39 | Calculated Property |
| Pvap | 4.28 | kPa | 343.51 | Calculated Property |
| Pvap | 9.95 | kPa | 367.63 | Calculated Property |
| Pvap | 20.96 | kPa | 391.76 | Calculated Property |
| Pvap | 40.63 | kPa | 415.88 | Calculated Property |
| Pvap | 73.45 | kPa | 440.00 | Calculated Property |
| Pvap | 125.14 | kPa | 464.12 | Calculated Property |
| Pvap | 202.65 | kPa | 488.24 | Calculated Property |
Similar Compounds
Find more compounds similar to ClCH2C(O)OCH(CH3)2.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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