- InChI
- InChI=1S/C16H23ClO/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3
- InChI Key
- OSKNTKJPGKHDHV-UHFFFAOYSA-N
- Formula
- C16H23ClO
- SMILES
-
CC(C)c1cc(C(C)C)c(C(=O)Cl)c(C(
C)C)c1 - Molecular Weight1
- 266.81
- CAS
- 57199-00-5
- Other Names
-
- Benzoyl chloride, 2,4,6-tris(1-methylethyl)-
- 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° | 19.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.436 | Crippen Calculated Property | |
| McVol | 226.350 | ml/mol | McGowan Calculated Property |
| Pc | 1710.36 | kPa | Joback Calculated Property |
| Tboil | 697.08 | K | Joback Calculated Property |
| Tc | 910.67 | K | Joback Calculated Property |
| Tfus | 368.91 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.18; 689.20] | J/mol×K | [697.08; 910.67] | 
|
| Cp,gas | 602.18 | J/mol×K | 697.08 | Joback Calculated Property |
| Cp,gas | 619.13 | J/mol×K | 732.68 | Joback Calculated Property |
| Cp,gas | 635.06 | J/mol×K | 768.28 | Joback Calculated Property |
| Cp,gas | 650.00 | J/mol×K | 803.87 | Joback Calculated Property |
| Cp,gas | 663.98 | J/mol×K | 839.47 | Joback Calculated Property |
| Cp,gas | 677.03 | J/mol×K | 875.07 | Joback Calculated Property |
| Cp,gas | 689.20 | J/mol×K | 910.67 | Joback Calculated Property |
| η | [0.0001125; 0.0019303] | Pa×s | [368.91; 697.08] |
|
| η | 0.0019303 | Pa×s | 368.91 | Joback Calculated Property |
| η | 0.0008851 | Pa×s | 423.61 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 478.30 | Joback Calculated Property |
| η | 0.0003008 | Pa×s | 533.00 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 587.69 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 642.38 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 697.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Triisopropylbenzoyl chloride.
Sources
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