- InChI
- InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
- InChI Key
- UKRQMDIFLKHCRO-UHFFFAOYSA-N
- Formula
- C10H11ClO
- SMILES
- Cc1cc(C)c(C(=O)Cl)c(C)c1
- Molecular Weight1
- 182.65
- CAS
- 938-18-1
- Other Names
-
- Benzoyl chloride, 2,4,6-trimethyl-
- 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).
- 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 | 0.5156 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.991 | Crippen Calculated Property | |
| McVol | 141.810 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Tboil | 518.48 | K | Relay (1.0) Calculated Property |
| Tc | 747.47 | K | Relay (1.0) Calculated Property |
| Tfus | 262.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.53; 364.41] | J/mol×K | [561.32; 784.38] | 
|
| Cp,gas | 301.53 | J/mol×K | 561.32 | Joback Calculated Property |
| Cp,gas | 313.66 | J/mol×K | 598.50 | Joback Calculated Property |
| Cp,gas | 325.10 | J/mol×K | 635.67 | Joback Calculated Property |
| Cp,gas | 335.88 | J/mol×K | 672.85 | Joback Calculated Property |
| Cp,gas | 346.01 | J/mol×K | 710.03 | Joback Calculated Property |
| Cp,gas | 355.51 | J/mol×K | 747.21 | Joback Calculated Property |
| Cp,gas | 364.41 | J/mol×K | 784.38 | Joback Calculated Property |
| η | [0.0002457; 0.0013634] | Pa×s | [346.29; 561.32] |
|
| η | 0.0013634 | Pa×s | 346.29 | Joback Calculated Property |
| η | 0.0008962 | Pa×s | 382.13 | Joback Calculated Property |
| η | 0.0006331 | Pa×s | 417.97 | Joback Calculated Property |
| η | 0.0004724 | Pa×s | 453.80 | Joback Calculated Property |
| η | 0.0003680 | Pa×s | 489.64 | Joback Calculated Property |
| η | 0.0002965 | Pa×s | 525.48 | Joback Calculated Property |
| η | 0.0002457 | Pa×s | 561.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylbenzoyl chloride.
Sources
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