- InChI
- InChI=1S/C8H7ClO3/c1-4-2-6(11)5(3-10)8(12)7(4)9/h2-3,11-12H,1H3
- InChI Key
- IOTAGSGSURFFDS-UHFFFAOYSA-N
- Formula
- C8H7ClO3
- SMILES
- Cc1cc(O)c(C=O)c(O)c1Cl
- Molecular Weight1
- 186.59
- CAS
- 57074-21-2
- 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).
- 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° | -311.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 1.872 | Crippen Calculated Property | |
| McVol | 125.370 | ml/mol | McGowan Calculated Property |
| Pc | 5486.97 | kPa | Joback Calculated Property |
| Inp | [1494.00; 1502.20] |
|
|
| Inp | 1502.20 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1502.20 | NIST | |
| Tboil | 666.41 | K | Joback Calculated Property |
| Tc | 911.18 | K | Joback Calculated Property |
| Tfus | 526.74 | K | Joback Calculated Property |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.31; 335.92] | J/mol×K | [666.41; 911.18] |
|
| Cp,gas | 295.31 | J/mol×K | 666.41 | Joback Calculated Property |
| Cp,gas | 302.70 | J/mol×K | 707.21 | Joback Calculated Property |
| Cp,gas | 309.66 | J/mol×K | 748.00 | Joback Calculated Property |
| Cp,gas | 316.32 | J/mol×K | 788.80 | Joback Calculated Property |
| Cp,gas | 322.83 | J/mol×K | 829.59 | Joback Calculated Property |
| Cp,gas | 329.32 | J/mol×K | 870.39 | Joback Calculated Property |
| Cp,gas | 335.92 | J/mol×K | 911.18 | Joback Calculated Property |
| η | [0.0000041; 0.0000518] | Pa×s | [526.74; 666.41] |
|
| η | 0.0000518 | Pa×s | 526.74 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 550.02 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 573.30 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 596.58 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 619.85 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 643.13 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 666.41 | Joback Calculated Property |
Similar Compounds
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Sources
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