- InChI
- InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
- InChI Key
- YHOYYHYBFSYOSQ-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- Cc1cccc(C(=O)Cl)c1
- Molecular Weight1
- 154.59
- CAS
- 1711-06-4
- Other Names
-
- m-Toluoyl chloride
- m-Methylbenzoyl chloride
- m-Toluyl chloride
- meta Methyl benzoyl chloride
- Toluoyl chloride
- 3-Methylbenzoyl chloride
- 3-Toluoyl chloride
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4360 | Relay (... Calculated Property | |
| ΔfG° | -21.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -2.66 | Relay (... 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 | 481.39 | K | Relay (... Calculated Property |
| Tc | 719.10 | K | Relay (... Calculated Property |
| Tfus | 253.92 | K | Relay (... Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (... 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 | [359.20; 370.00] | K | [0.70; 1.60] |
|
| Tboilr | 359.20 | K | 0.70 | NIST |
| Tboilr | 370.00 ± 1.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 3-methyl-.
Sources
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