- 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).
- 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).
- 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 |
| ΔfG° | -254.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.71 | 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 | 3505.43 | 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 | 624.53 | K | Relay (1.0) Calculated Property |
| Tfus | 203.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.82; 232.29] | J/mol×K | [427.52; 613.54] |
|
| Cp,gas | 186.82 | J/mol×K | 427.52 | Joback Calculated Property |
| Cp,gas | 195.11 | J/mol×K | 458.52 | Joback Calculated Property |
| Cp,gas | 203.12 | J/mol×K | 489.53 | Joback Calculated Property |
| Cp,gas | 210.84 | J/mol×K | 520.53 | Joback Calculated Property |
| Cp,gas | 218.28 | J/mol×K | 551.53 | Joback Calculated Property |
| Cp,gas | 225.43 | J/mol×K | 582.53 | Joback Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 613.54 | 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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.