- InChI
- InChI=1S/C4H5ClO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+
- InChI Key
- ZLDNFLVIPPOXQL-NSCUHMNNSA-N
- Formula
- C4H5ClO2
- SMILES
- COC(=O)C=CCl
- Molecular Weight1
- 120.53
- CAS
- 5135-18-2
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.3604 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.912 | Crippen Calculated Property | |
| McVol | 82.600 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Tboil | 413.40 | K | Relay (1.0) Calculated Property |
| Tc | 605.25 | K | Relay (1.0) Calculated Property |
| Tfus | 245.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.285 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.25; 169.05] | J/mol×K | [408.80; 606.12] | 
|
| Cp,gas | 135.25 | J/mol×K | 408.80 | Joback Calculated Property |
| Cp,gas | 141.57 | J/mol×K | 441.69 | Joback Calculated Property |
| Cp,gas | 147.60 | J/mol×K | 474.57 | Joback Calculated Property |
| Cp,gas | 153.36 | J/mol×K | 507.46 | Joback Calculated Property |
| Cp,gas | 158.85 | J/mol×K | 540.35 | Joback Calculated Property |
| Cp,gas | 164.07 | J/mol×K | 573.24 | Joback Calculated Property |
| Cp,gas | 169.05 | J/mol×K | 606.12 | Joback Calculated Property |
| η | [0.0002691; 0.0025428] | Pa×s | [231.84; 408.80] |
|
| η | 0.0025428 | Pa×s | 231.84 | Joback Calculated Property |
| η | 0.0014158 | Pa×s | 261.33 | Joback Calculated Property |
| η | 0.0008877 | Pa×s | 290.83 | Joback Calculated Property |
| η | 0.0006066 | Pa×s | 320.32 | Joback Calculated Property |
| η | 0.0004420 | Pa×s | 349.81 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 379.31 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 408.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans Methyl 3-chloro-2-propenoate.
Sources
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