- 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
- Ethyl «alpha»-chloropropionate
- Propionic acid, 2-chloro-, ethyl ester
- UN 2935
- 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).
- 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 | [-2761.90; -2737.00] | kJ/mol |
|
| ΔcH°liquid | -2761.90 ± 2.10 | kJ/mol | NIST |
| ΔcH°liquid | -2737.00 | 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° | 39.88 | kJ/mol | Joback Calculated Property |
| 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 | [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 | |
| I | [1226.00; 1290.00] |
|
|
| I | 1250.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1232.00 | NIST | |
| Tboil | 420.70 | 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 |
| Cp,liquid | 220.50 | J/mol×K | 298.00 | NIST |
| 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 | 46.50 | kJ/mol | 349.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.64] | kPa | [274.55; 489.75] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Propanoic acid, 2-chloro-, ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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