- InChI
- InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
- InChI Key
- DSGKWFGEUBCEIE-UHFFFAOYSA-N
- Formula
- C9H7ClO3
- SMILES
- CC(=O)Oc1ccccc1C(=O)Cl
- Molecular Weight1
- 198.60
- CAS
- 5538-51-2
- Other Names
-
- o-Acetylsalicyloyl chloride
- Acetylsalicoyl chloride
- o-Acetylsalicoyl chloride
- Benzoyl chloride, 2-(acetyloxy)-
- 2-acetoxybenzoyl 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).
- 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° | -247.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 1.991 | Crippen Calculated Property | |
| McVol | 135.160 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Tboil | 604.57 | K | Joback Calculated Property |
| Tc | 834.38 | K | Joback Calculated Property |
| Tfus | 382.14 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.64; 344.26] | J/mol×K | [604.57; 834.38] | 
|
| Cp,gas | 292.64 | J/mol×K | 604.57 | Joback Calculated Property |
| Cp,gas | 302.96 | J/mol×K | 642.87 | Joback Calculated Property |
| Cp,gas | 312.58 | J/mol×K | 681.17 | Joback Calculated Property |
| Cp,gas | 321.51 | J/mol×K | 719.48 | Joback Calculated Property |
| Cp,gas | 329.75 | J/mol×K | 757.78 | Joback Calculated Property |
| Cp,gas | 337.33 | J/mol×K | 796.08 | Joback Calculated Property |
| Cp,gas | 344.26 | J/mol×K | 834.38 | Joback Calculated Property |
| η | [0.0002416; 0.0015429] | Pa×s | [382.14; 604.57] |
|
| η | 0.0015429 | Pa×s | 382.14 | Joback Calculated Property |
| η | 0.0009881 | Pa×s | 419.21 | Joback Calculated Property |
| η | 0.0006803 | Pa×s | 456.28 | Joback Calculated Property |
| η | 0.0004954 | Pa×s | 493.36 | Joback Calculated Property |
| η | 0.0003771 | Pa×s | 530.43 | Joback Calculated Property |
| η | 0.0002975 | Pa×s | 567.50 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 604.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetylsalicyloyl chloride.
Sources
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