- InChI
- InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
- InChI Key
- OUOWCSJYDCPVDM-UHFFFAOYSA-N
- Formula
- C11H13ClO
- SMILES
- CCCCc1ccc(C(=O)Cl)cc1
- Molecular Weight1
- 196.67
- CAS
- 28788-62-7
- Other Names
-
- 4-Butylbenzoyl chloride
- p-Butylbenzoyl chloride
- 4-n-Butylbenzoyl 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).
- 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).
- 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° | 3.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.408 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | 1522.00 | NIST | |
| Tboil | 574.04 | K | Joback Calculated Property |
| Tc | 790.99 | K | Joback Calculated Property |
| Tfus | 332.52 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.64; 418.27] | J/mol×K | [574.04; 790.99] | 
|
| Cp,gas | 348.64 | J/mol×K | 574.04 | Joback Calculated Property |
| Cp,gas | 362.22 | J/mol×K | 610.20 | Joback Calculated Property |
| Cp,gas | 374.97 | J/mol×K | 646.36 | Joback Calculated Property |
| Cp,gas | 386.91 | J/mol×K | 682.52 | Joback Calculated Property |
| Cp,gas | 398.09 | J/mol×K | 718.67 | Joback Calculated Property |
| Cp,gas | 408.53 | J/mol×K | 754.83 | Joback Calculated Property |
| Cp,gas | 418.27 | J/mol×K | 790.99 | Joback Calculated Property |
| η | [0.0002380; 0.0021679] | Pa×s | [332.52; 574.04] |
|
| η | 0.0021679 | Pa×s | 332.52 | Joback Calculated Property |
| η | 0.0012297 | Pa×s | 372.77 | Joback Calculated Property |
| η | 0.0007791 | Pa×s | 413.03 | Joback Calculated Property |
| η | 0.0005352 | Pa×s | 453.28 | Joback Calculated Property |
| η | 0.0003909 | Pa×s | 493.53 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 533.79 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 574.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 4-butyl-.
Sources
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