- InChI
- InChI=1S/C12H15ClO/c1-8-5-6-9(2)10(7-8)11(14)12(3,4)13/h5-7H,1-4H3
- InChI Key
- VXXAHSALZMCFQS-UHFFFAOYSA-N
- Formula
- C12H15ClO
- SMILES
- Cc1ccc(C)c(C(=O)C(C)(C)Cl)c1
- Molecular Weight1
- 210.70
- CAS
- 54965-52-5
- Other Names
-
- 2-Chloro-1-(2,5-dimethylphenyl)-2-methyl-1-propanone
- 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).
- 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).
- 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° | 5.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.504 | Crippen Calculated Property | |
| McVol | 169.990 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Tboil | 598.67 | K | Joback Calculated Property |
| Tc | 826.03 | K | Joback Calculated Property |
| Tfus | 358.73 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.09; 473.87] | J/mol×K | [598.67; 826.03] | 
|
| Cp,gas | 399.09 | J/mol×K | 598.67 | Joback Calculated Property |
| Cp,gas | 413.93 | J/mol×K | 636.56 | Joback Calculated Property |
| Cp,gas | 427.74 | J/mol×K | 674.46 | Joback Calculated Property |
| Cp,gas | 440.58 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 452.51 | J/mol×K | 750.24 | Joback Calculated Property |
| Cp,gas | 463.58 | J/mol×K | 788.14 | Joback Calculated Property |
| Cp,gas | 473.87 | J/mol×K | 826.03 | Joback Calculated Property |
| η | [0.0001907; 0.0018407] | Pa×s | [358.73; 598.67] |
|
| η | 0.0018407 | Pa×s | 358.73 | Joback Calculated Property |
| η | 0.0010437 | Pa×s | 398.72 | Joback Calculated Property |
| η | 0.0006563 | Pa×s | 438.71 | Joback Calculated Property |
| η | 0.0004459 | Pa×s | 478.70 | Joback Calculated Property |
| η | 0.0003216 | Pa×s | 518.69 | Joback Calculated Property |
| η | 0.0002431 | Pa×s | 558.68 | Joback Calculated Property |
| η | 0.0001907 | Pa×s | 598.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 2-chloro-1-(2,5-dimethylphenyl)-2-methyl-.
Sources
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