- InChI
- InChI=1S/C9H10ClNO/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H2,11,12)
- InChI Key
- DDKYWWMTJDDHKO-UHFFFAOYSA-N
- Formula
- C9H10ClNO
- SMILES
- NC(=O)Cc1ccc(CCl)cc1
- Molecular Weight1
- 183.63
- CAS
- 54777-65-0
- Other Names
-
- Acetamide, N-[4-(chloromethyl)phenyl]-
- N-[4-Chloromethyl)phenyl]-acetamide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 53.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 1.453 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Tboil | 600.81 | K | Joback Calculated Property |
| Tc | 834.00 | K | Joback Calculated Property |
| Tfus | 393.24 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.94; 368.51] | J/mol×K | [600.81; 834.00] | 
|
| Cp,gas | 310.94 | J/mol×K | 600.81 | Joback Calculated Property |
| Cp,gas | 322.44 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 678.54 | Joback Calculated Property |
| Cp,gas | 343.04 | J/mol×K | 717.40 | Joback Calculated Property |
| Cp,gas | 352.21 | J/mol×K | 756.27 | Joback Calculated Property |
| Cp,gas | 360.69 | J/mol×K | 795.13 | Joback Calculated Property |
| Cp,gas | 368.51 | J/mol×K | 834.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetamidobenzyl chloride.
Sources
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