![3-Methyl-1-[4-(chloromethyl)phenyl]-1-butanone](/cid/49-444-5/3-Methyl-1-4-chloromethyl-phenyl-1-butanone.png "3-Methyl-1-[4-(chloromethyl)phenyl]-1-butanone")
- InChI
- InChI=1S/C11H13ClO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
- InChI Key
- SCNNXOZSXWBSSI-UHFFFAOYSA-N
- Formula
- C11H13ClO
- SMILES
- CC(C)CC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 196.67
- 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).
- 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° | 1.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.569 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 573.60 | K | Joback Calculated Property |
| Tc | 795.27 | K | Joback Calculated Property |
| Tfus | 317.52 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.03; 420.13] | J/mol×K | [573.60; 795.27] |
|
| Cp,gas | 349.03 | J/mol×K | 573.60 | Joback Calculated Property |
| Cp,gas | 362.97 | J/mol×K | 610.55 | Joback Calculated Property |
| Cp,gas | 376.03 | J/mol×K | 647.49 | Joback Calculated Property |
| Cp,gas | 388.24 | J/mol×K | 684.44 | Joback Calculated Property |
| Cp,gas | 399.63 | J/mol×K | 721.38 | Joback Calculated Property |
| Cp,gas | 410.25 | J/mol×K | 758.33 | Joback Calculated Property |
| Cp,gas | 420.13 | J/mol×K | 795.27 | Joback Calculated Property |
| η | [0.0002229; 0.0027371] | Pa×s | [317.52; 573.60] |
|
| η | 0.0027371 | Pa×s | 317.52 | Joback Calculated Property |
| η | 0.0014067 | Pa×s | 360.20 | Joback Calculated Property |
| η | 0.0008325 | Pa×s | 402.88 | Joback Calculated Property |
| η | 0.0005448 | Pa×s | 445.56 | Joback Calculated Property |
| η | 0.0003839 | Pa×s | 488.24 | Joback Calculated Property |
| η | 0.0002862 | Pa×s | 530.92 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 573.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1-[4-(chloromethyl)phenyl]-1-butanone.
Sources
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