- InChI
- InChI=1S/C5H9ClO/c1-4(7)5(2,3)6/h1-3H3
- InChI Key
- FTJRNNIDCLELRD-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CC(=O)C(C)(C)Cl
- Molecular Weight1
- 120.58
- CAS
- 5950-19-6
- 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 |
|---|---|---|---|
| ΔfG° | -146.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.56 | kJ/mol | Joback Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -1.46 | Crippen Calculated Property | |
| logPoct/wat | 1.593 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | [763.00; 763.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 763.00 | NIST | |
| Tboil | 401.87 | K | Joback Calculated Property |
| Tc | 601.08 | K | Joback Calculated Property |
| Tfus | 228.38 | K | Joback Calculated Property |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.29; 218.56] | J/mol×K | [401.87; 601.08] |
|
| Cp,gas | 168.29 | J/mol×K | 401.87 | Joback Calculated Property |
| Cp,gas | 178.04 | J/mol×K | 435.07 | Joback Calculated Property |
| Cp,gas | 187.21 | J/mol×K | 468.27 | Joback Calculated Property |
| Cp,gas | 195.82 | J/mol×K | 501.47 | Joback Calculated Property |
| Cp,gas | 203.89 | J/mol×K | 534.68 | Joback Calculated Property |
| Cp,gas | 211.47 | J/mol×K | 567.88 | Joback Calculated Property |
| Cp,gas | 218.56 | J/mol×K | 601.08 | Joback Calculated Property |
| η | [0.0003928; 0.0059669] | Pa×s | [228.38; 401.87] |
|
| η | 0.0059669 | Pa×s | 228.38 | Joback Calculated Property |
| η | 0.0029388 | Pa×s | 257.30 | Joback Calculated Property |
| η | 0.0016700 | Pa×s | 286.21 | Joback Calculated Property |
| η | 0.0010528 | Pa×s | 315.12 | Joback Calculated Property |
| η | 0.0007172 | Pa×s | 344.04 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 372.96 | Joback Calculated Property |
| η | 0.0003928 | Pa×s | 401.87 | Joback Calculated Property |
Similar Compounds
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Sources
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