- InChI
- InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
- InChI Key
- JEAVBVKAYUCPAQ-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CCOC(=O)C(C)Cl
- Molecular Weight1
- 136.58
- CAS
- 535-13-7
- Other Names
-
- 2-Chloropropionic acid, ethyl ester
- Ethyl 2-chloropropanoate
- Ethyl 2-chloropropionate
- Ethyl «alpha»-chloropropionate
- Propionic acid, 2-chloro-, ethyl ester
- UN 2935
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- IE : Ionization energy (eV).
- 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.
- Ip : 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 | 0.3798 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-2761.90; -2737.00] | kJ/mol |
|
| ΔcH°liquid | -2761.90 ± 2.10 | kJ/mol | NIST |
| ΔcH°liquid | -2737.00 | kJ/mol | NIST |
| ΔfG° | -333.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Inp | [832.00; 857.00] |
|
|
| Inp | 841.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 841.00 | NIST | |
| Ip | [1226.00; 1290.00] |
|
|
| Ip | 1250.00 | NIST | |
| Ip | 1229.00 | NIST | |
| Ip | 1254.00 | NIST | |
| Ip | 1288.00 | NIST | |
| Ip | 1290.00 | NIST | |
| Ip | 1232.00 | NIST | |
| Ip | 1226.00 | NIST | |
| Ip | 1250.00 | NIST | |
| Ip | 1232.00 | NIST | |
| Tboil | 420.70 | K | NIST |
| Tc | 595.31 | K | Relay (1.0) Calculated Property |
| Tfus | 222.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 220.50 | J/mol×K | 298.00 | NIST |
| ΔvapH | 46.50 | kJ/mol | 349.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.98; 294.20] | 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 | 3.49610e+01 | |||
| Coefficient B | 4.36740e-01 | |||
| Coefficient C | -1.77200e-04 | |||
| Coefficient D | -3.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 232.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 249.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088387; 0.0002731] | Pa×s | [203.36; 417.00] |
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 | -1.15151e+01 | |||
| Coefficient B | 1.38010e+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. | 203.36 | |||
| Temperature range, max. | 417.00 | |||
| η | 0.0088387 | Pa×s | 203.36 | Calculated Property |
| η | 0.0043482 | Pa×s | 227.10 | Calculated Property |
| η | 0.0024465 | Pa×s | 250.84 | Calculated Property |
| η | 0.0015204 | Pa×s | 274.57 | Calculated Property |
| η | 0.0010192 | Pa×s | 298.31 | Calculated Property |
| η | 0.0007247 | Pa×s | 322.05 | Calculated Property |
| η | 0.0005400 | Pa×s | 345.79 | Calculated Property |
| η | 0.0004179 | Pa×s | 369.53 | Calculated Property |
| η | 0.0003335 | Pa×s | 393.27 | Calculated Property |
| η | 0.0002731 | Pa×s | 417.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.64] | kPa | [274.55; 489.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38125e+01 | |||
| Coefficient B | -4.00138e+03 | |||
| Coefficient C | -1.90580e+01 | |||
| Temperature range, min. | 274.55 | |||
| Temperature range, max. | 489.75 | |||
| Pvap | 0.16 | kPa | 274.55 | Calculated Property |
| Pvap | 0.60 | kPa | 298.46 | Calculated Property |
| Pvap | 1.86 | kPa | 322.37 | Calculated Property |
| Pvap | 4.88 | kPa | 346.28 | Calculated Property |
| Pvap | 11.21 | kPa | 370.19 | Calculated Property |
| Pvap | 23.19 | kPa | 394.11 | Calculated Property |
| Pvap | 43.95 | kPa | 418.02 | Calculated Property |
| Pvap | 77.48 | kPa | 441.93 | Calculated Property |
| Pvap | 128.57 | kPa | 465.84 | Calculated Property |
| Pvap | 202.64 | kPa | 489.75 | Calculated Property |
Similar Compounds
Find more compounds similar to (+/-)-ETHYL 2-CHLOROPROPIONATE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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