- InChI
- InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
- InChI Key
- YJRGMUWRPCPLNH-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CCCCOC(=O)CCl
- Molecular Weight1
- 150.60
- CAS
- 590-02-3
- Other Names
-
- n-Butyl chloroacetate
- Butyl chloroacetate
- Chloroacetic acid butyl ester
- Monochloroacetic acid n-butyl ester
- Chloroacetic acid n-butyl ester
- 2-Chloroacetic acid, n-butyl ester
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | [-3419.00; -3405.00] | kJ/mol |
|
| ΔcH°liquid | -3419.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -3418.30 ± 2.10 | kJ/mol | NIST |
| ΔcH°liquid | -3410.00 ± 0.30 | kJ/mol | NIST |
| ΔcH°liquid | -3405.00 | kJ/mol | NIST |
| ΔfG° | -246.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.71 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -538.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.00 | kJ/mol | NIST |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.568 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | [986.00; 1032.00] |
|
|
| Inp | 1007.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1001.40 | NIST | |
| Inp | Outlier 1032.00 | NIST | |
| I | [1466.00; 1534.00] |
|
|
| I | 1472.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1534.00 | NIST | |
| Tboil | 456.20 | K | NIST |
| Tc | 634.77 | K | Joback Calculated Property |
| Tfus | 259.46 | K | Joback Calculated Property |
| Vc | 0.445 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.90; 277.34] | J/mol×K | [450.40; 634.77] |
|
| Cp,gas | 224.90 | J/mol×K | 450.40 | Joback Calculated Property |
| Cp,gas | 234.51 | J/mol×K | 481.13 | Joback Calculated Property |
| Cp,gas | 243.77 | J/mol×K | 511.86 | Joback Calculated Property |
| Cp,gas | 252.68 | J/mol×K | 542.58 | Joback Calculated Property |
| Cp,gas | 261.25 | J/mol×K | 573.31 | Joback Calculated Property |
| Cp,gas | 269.47 | J/mol×K | 604.04 | Joback Calculated Property |
| Cp,gas | 277.34 | J/mol×K | 634.77 | Joback Calculated Property |
| η | [0.0003003; 0.0030315] | Pa×s | [259.46; 450.40] |
|
| η | 0.0030315 | Pa×s | 259.46 | Joback Calculated Property |
| η | 0.0016707 | Pa×s | 291.28 | Joback Calculated Property |
| η | 0.0010354 | Pa×s | 323.11 | Joback Calculated Property |
| η | 0.0006992 | Pa×s | 354.93 | Joback Calculated Property |
| η | 0.0005036 | Pa×s | 386.75 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 418.58 | Joback Calculated Property |
| η | 0.0003003 | Pa×s | 450.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 360.00 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, chloro-, butyl ester.
Sources
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that the value is more than 2 standard deviations away from the
property mean.