- InChI
- InChI=1S/C6H11ClO2/c1-3-6(7)4-9-5(2)8/h6H,3-4H2,1-2H3
- InChI Key
- BMVQKHFYSHXSBE-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CCC(Cl)COC(C)=O
- Molecular Weight1
- 150.61
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.4249 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [930.00; 964.00] |
|
|
| Inp | 944.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 964.00 | NIST | |
| I | [1370.00; 1425.00] |
|
|
| I | 1370.00 | NIST | |
| I | 1375.00 | NIST | |
| I | Outlier 1425.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1370.00 | NIST | |
| Tboil | 440.64 | K | Relay (1.0) Calculated Property |
| Tc | 621.77 | K | Relay (1.0) Calculated Property |
| Tfus | 208.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.51; 276.72] | J/mol×K | [432.09; 617.11] |
|
| Cp,gas | 221.51 | J/mol×K | 432.09 | Joback Calculated Property |
| Cp,gas | 231.73 | J/mol×K | 462.93 | Joback Calculated Property |
| Cp,gas | 241.54 | J/mol×K | 493.76 | Joback Calculated Property |
| Cp,gas | 250.94 | J/mol×K | 524.60 | Joback Calculated Property |
| Cp,gas | 259.94 | J/mol×K | 555.44 | Joback Calculated Property |
| Cp,gas | 268.53 | J/mol×K | 586.27 | Joback Calculated Property |
| Cp,gas | 276.72 | J/mol×K | 617.11 | Joback Calculated Property |
| η | [0.0002734; 0.0086734] | Pa×s | [214.63; 432.09] |
|
| η | 0.0086734 | Pa×s | 214.63 | Joback Calculated Property |
| η | 0.0032153 | Pa×s | 250.87 | Joback Calculated Property |
| η | 0.0015313 | Pa×s | 287.12 | Joback Calculated Property |
| η | 0.0008612 | Pa×s | 323.36 | Joback Calculated Property |
| η | 0.0005439 | Pa×s | 359.60 | Joback Calculated Property |
| η | 0.0003737 | Pa×s | 395.85 | Joback Calculated Property |
| η | 0.0002734 | Pa×s | 432.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2-chloro, acetate.
Sources
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