- InChI
- InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
- InChI Key
- ZCLGVXACCAZJOX-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CCOC(=O)CCCl
- Molecular Weight1
- 136.58
- CAS
- 623-71-2
- Other Names
-
- 3-Chloropropionic acid, ethyl ester
- Ethyl 3-chloropropanoate
- Ethyl 3-chloropropionate
- Ethyl «beta»-chloropropionate
- Propionic acid, 3-chloro-, ethyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4351 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-2752.00; -2750.00] | kJ/mol |
|
| ΔcH°liquid | -2752.00 ± 4.00 | kJ/mol | NIST |
| ΔcH°liquid | -2750.00 | kJ/mol | NIST |
| ΔfG° | -331.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.178 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| Inp | [880.00; 910.00] |
|
|
| Inp | 902.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | Outlier 880.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 894.00 | NIST | |
| I | [1372.00; 1421.00] |
|
|
| I | 1388.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1378.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1421.00 | NIST | |
| Tboil | 435.20 | K | NIST |
| Tc | 620.47 | K | Relay (1.0) Calculated Property |
| Tfus | 221.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.00 | kJ/mol | 337.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.29; 293.66] | 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 | 3.66430e+01 | |||
| Coefficient B | 4.30820e-01 | |||
| Coefficient C | -1.74000e-04 | |||
| Coefficient D | 2.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 248.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 263.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 275.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 293.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053321; 0.0002913] | Pa×s | [218.36; 414.31] |
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 | -1.13811e+01 | |||
| Coefficient B | 1.34228e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 218.36 | |||
| Temperature range, max. | 414.31 | |||
| η | 0.0053321 | Pa×s | 218.36 | Calculated Property |
| η | 0.0030539 | Pa×s | 240.13 | Calculated Property |
| η | 0.0019189 | Pa×s | 261.90 | Calculated Property |
| η | 0.0012948 | Pa×s | 283.68 | Calculated Property |
| η | 0.0009241 | Pa×s | 305.45 | Calculated Property |
| η | 0.0006898 | Pa×s | 327.22 | Calculated Property |
| η | 0.0005341 | Pa×s | 348.99 | Calculated Property |
| η | 0.0004261 | Pa×s | 370.77 | Calculated Property |
| η | 0.0003486 | Pa×s | 392.54 | Calculated Property |
| η | 0.0002913 | Pa×s | 414.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro-, ethyl ester.
Sources
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