- InChI
- InChI=1S/C11H13ClO/c1-2-9(8-12)11(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
- InChI Key
- KYBRUOFDMKKROW-UHFFFAOYSA-N
- Formula
- C11H13ClO
- SMILES
- CCC(CCl)C(=O)c1ccccc1
- Molecular Weight1
- 196.68
- 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.
- 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 | 0.4709 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.134 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | 1485.00 | NIST | |
| Tboil | 538.69 | K | Relay (1.0) Calculated Property |
| Tc | 769.17 | K | Relay (1.0) Calculated Property |
| Tfus | 301.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.59; 421.76] | J/mol×K | [568.82; 789.53] | 
|
| Cp,gas | 349.59 | J/mol×K | 568.82 | Joback Calculated Property |
| Cp,gas | 363.83 | J/mol×K | 605.60 | Joback Calculated Property |
| Cp,gas | 377.12 | J/mol×K | 642.39 | Joback Calculated Property |
| Cp,gas | 389.52 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 401.07 | J/mol×K | 715.96 | Joback Calculated Property |
| Cp,gas | 411.80 | J/mol×K | 752.74 | Joback Calculated Property |
| Cp,gas | 421.76 | J/mol×K | 789.53 | Joback Calculated Property |
| η | [0.0002279; 0.0037119] | Pa×s | [305.00; 568.82] |
|
| η | 0.0037119 | Pa×s | 305.00 | Joback Calculated Property |
| η | 0.0017393 | Pa×s | 348.97 | Joback Calculated Property |
| η | 0.0009657 | Pa×s | 392.94 | Joback Calculated Property |
| η | 0.0006036 | Pa×s | 436.91 | Joback Calculated Property |
| η | 0.0004111 | Pa×s | 480.88 | Joback Calculated Property |
| η | 0.0002986 | Pa×s | 524.85 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 568.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2-(chloromethyl)-1-butanone.
Sources
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