- InChI
- InChI=1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
- InChI Key
- NQUVCRCCRXRJCK-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- Cc1ccc(C(=O)Cl)cc1
- Molecular Weight1
- 154.59
- CAS
- 874-60-2
- Other Names
-
- p-Toluoyl chloride
- p-Methylbenzoyl chloride
- p-Toluic acid chloride
- p-Toluyl chloride
- 4-Methylbenzoyl chloride
- 4-Toluoyl chloride
- 4-Methylbenzoic acid chloride
- 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).
- ΔfH°liquid : Liquid phase 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).
- Tboilr : Boiling point at reduced pressure (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° | -21.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.70 ± 7.40 | kJ/mol | NIST |
| ΔfH°liquid | -201.30 ± 6.10 | kJ/mol | NIST |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.50 ± 4.20 | kJ/mol | NIST |
| IE | 9.37 ± 0.01 | eV | NIST |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 499.20 | K | NIST |
| Tc | 734.29 | K | Joback Calculated Property |
| Tfus | 298.71 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.19; 270.00] | J/mol×K | [505.40; 734.29] | 
|
| Cp,gas | 216.19 | J/mol×K | 505.40 | Joback Calculated Property |
| Cp,gas | 226.80 | J/mol×K | 543.55 | Joback Calculated Property |
| Cp,gas | 236.72 | J/mol×K | 581.70 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 619.84 | Joback Calculated Property |
| Cp,gas | 254.59 | J/mol×K | 657.99 | Joback Calculated Property |
| Cp,gas | 262.58 | J/mol×K | 696.14 | Joback Calculated Property |
| Cp,gas | 270.00 | J/mol×K | 734.29 | Joback Calculated Property |
| η | [0.0002938; 0.0021784] | Pa×s | [298.71; 505.40] |
|
| η | 0.0021784 | Pa×s | 298.71 | Joback Calculated Property |
| η | 0.0013126 | Pa×s | 333.16 | Joback Calculated Property |
| η | 0.0008697 | Pa×s | 367.61 | Joback Calculated Property |
| η | 0.0006184 | Pa×s | 402.06 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 436.50 | Joback Calculated Property |
| η | 0.0003631 | Pa×s | 470.95 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 505.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
![[2H8]-1,4-Bis(chloromethyl)benzene.](data:image/png;base64,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)
Find more compounds similar to Benzoyl chloride, 4-methyl-.
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