- InChI
- InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
- InChI Key
- ZZUYIRISBMWFMV-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- COC(=O)CCCCl
- Molecular Weight1
- 136.58
- CAS
- 3153-37-5
- Other Names
-
- 4-Chlorobutanoic acid methyl ester
- 4-Chlorobutyric acid methyl ester
- Butyric acid, 4-chloro-, methyl ester
- ClCH2(CH2)2C(O)OCH3
- Methyl «gamma»-chlorobutyrate
- Methyl «omega»-chlorobutyrate
- methyl 4-chlorobutanoate
- methyl 4-chlorobutyrate
- «gamma»-Chlorobutyric acid methyl 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4396 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2733.00 | kJ/mol | NIST |
| ΔfH°gas | -474.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 ± 0.30 | eV | NIST |
| log10WS | -0.99 | 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 | [920.00; 972.20] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | Outlier 972.20 | NIST | |
| Inp | Outlier 972.20 | NIST | |
| Inp | 941.00 | NIST | |
| Tboil | 448.70 | K | NIST |
| Tc | 630.58 | K | Relay (1.0) Calculated Property |
| Tfus | 200.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.94; 230.72] | J/mol×K | [409.65; 591.87] |
|
| Cp,gas | 183.94 | J/mol×K | 409.65 | Joback Calculated Property |
| Cp,gas | 192.54 | J/mol×K | 440.02 | Joback Calculated Property |
| Cp,gas | 200.82 | J/mol×K | 470.39 | Joback Calculated Property |
| Cp,gas | 208.77 | J/mol×K | 500.76 | Joback Calculated Property |
| Cp,gas | 216.41 | J/mol×K | 531.13 | Joback Calculated Property |
| Cp,gas | 223.73 | J/mol×K | 561.50 | Joback Calculated Property |
| Cp,gas | 230.72 | J/mol×K | 591.87 | Joback Calculated Property |
| η | [0.0010890; 0.0015190] | Pa×s | [298.15; 318.15] |
|
| η | 0.0015190 | Pa×s | 298.15 | Densities and Viscosities of Binary Mixtures of Methyl 4-Chlorobutyrate with Aromatic Hydrocarbons at T ) (298.15 to 318.15) K |
| η | 0.0012790 | Pa×s | 308.15 | Densities and Viscosities of Binary Mixtures of Methyl 4-Chlorobutyrate with Aromatic Hydrocarbons at T ) (298.15 to 318.15) K |
| η | 0.0010890 | Pa×s | 318.15 | Densities and Viscosities of Binary Mixtures of Methyl 4-Chlorobutyrate with Aromatic Hydrocarbons at T ) (298.15 to 318.15) K |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro-, methyl ester.
Mixtures
- Benzene + Butanoic acid, 4-chloro-, methyl ester
- Toluene + Butanoic acid, 4-chloro-, methyl ester
- Butanoic acid, 4-chloro-, methyl ester + o-Xylene
- Benzene, 1,3-dimethyl- + Butanoic acid, 4-chloro-, methyl ester
- p-Xylene + Butanoic acid, 4-chloro-, methyl ester
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Densities and Viscosities of Binary Mixtures of Methyl 4-Chlorobutyrate with Aromatic Hydrocarbons at T ) (298.15 to 318.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
property mean.
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