- InChI
- InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3
- InChI Key
- HDQHWBXUKZBPDN-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- COC(=O)CC(C)Cl
- Molecular Weight1
- 136.58
- CAS
- 817-76-5
- Other Names
-
- Butanoic acid, 3-chloro-, methyl ester
- Methyl 3-chlorobutanoate
- Methyl 3-chlorobutyrate
- 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).
- 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.
- 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 | -2735.00 | 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 | [859.00; 881.00] |
|
|
| Inp | 881.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 869.00 | NIST | |
| Tboil | 427.08 | K | Joback Calculated Property |
| 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 |
| 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 |
Similar Compounds
Find more compounds similar to CH3CHClCH2C(O)OCH3.
Sources
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