- InChI
- InChI=1S/C6H11ClO2/c1-5(2)6(8)9-4-3-7/h5H,3-4H2,1-2H3
- InChI Key
- MONYEUFMPZBBMF-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CC(C)C(=O)OCCCl
- Molecular Weight1
- 150.60
- CAS
- 33662-96-3
- Other Names
-
- Propanoic acid, 2-methyl, 2-chloroethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 | 0.4666 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -510.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [949.00; 949.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 949.00 | NIST | |
| Tboil | 432.13 | K | Relay (1.0) Calculated Property |
| Tc | 624.92 | K | Relay (1.0) Calculated Property |
| Tfus | 212.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.19; 345.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.40520e+01 | |||
| Coefficient B | 5.31740e-01 | |||
| Coefficient C | -2.31600e-04 | |||
| Coefficient D | 1.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 271.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 291.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 323.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 336.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086734; 0.0002737] | Pa×s | [214.63; 431.98] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16163e+01 | |||
| Coefficient B | 1.47426e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 214.63 | |||
| Temperature range, max. | 431.98 | |||
| η | 0.0086734 | Pa×s | 214.63 | Calculated Property |
| η | 0.0043300 | Pa×s | 238.78 | Calculated Property |
| η | 0.0024559 | Pa×s | 262.93 | Calculated Property |
| η | 0.0015323 | Pa×s | 287.08 | Calculated Property |
| η | 0.0010287 | Pa×s | 311.23 | Calculated Property |
| η | 0.0007314 | Pa×s | 335.38 | Calculated Property |
| η | 0.0005444 | Pa×s | 359.53 | Calculated Property |
| η | 0.0004206 | Pa×s | 383.68 | Calculated Property |
| η | 0.0003350 | Pa×s | 407.83 | Calculated Property |
| η | 0.0002737 | Pa×s | 431.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro, 2-methylpropanoate.
Sources
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