- InChI
- InChI=1S/C9H10ClNO2/c1-6-3-4-7(5-8(6)10)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
- InChI Key
- QURFKMPDWGGSOK-UHFFFAOYSA-N
- Formula
- C9H10ClNO2
- SMILES
- COC(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 199.63
- CAS
- 22133-20-6
- 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° | -38.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.827 | Crippen Calculated Property | |
| McVol | 143.570 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Tboil | 605.85 | K | Joback Calculated Property |
| Tc | 828.18 | K | Joback Calculated Property |
| Tfus | 397.39 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.53; 382.72] | J/mol×K | [605.85; 828.18] | 
|
| Cp,gas | 324.53 | J/mol×K | 605.85 | Joback Calculated Property |
| Cp,gas | 335.92 | J/mol×K | 642.91 | Joback Calculated Property |
| Cp,gas | 346.62 | J/mol×K | 679.96 | Joback Calculated Property |
| Cp,gas | 356.64 | J/mol×K | 717.02 | Joback Calculated Property |
| Cp,gas | 365.99 | J/mol×K | 754.07 | Joback Calculated Property |
| Cp,gas | 374.68 | J/mol×K | 791.13 | Joback Calculated Property |
| Cp,gas | 382.72 | J/mol×K | 828.18 | Joback Calculated Property |
Similar Compounds
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Sources
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