- InChI
- InChI=1S/C11H13ClO/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5H,6H2,1-3H3
- InChI Key
- ALJRYGQLPCEFKO-UHFFFAOYSA-N
- Formula
- C11H13ClO
- SMILES
- Cc1cc(C)c(C(=O)CCl)c(C)c1
- Molecular Weight1
- 196.67
- CAS
- 50690-12-5
- 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° | -15.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.033 | Crippen Calculated Property | |
| McVol | 155.900 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Tboil | 584.00 | K | Joback Calculated Property |
| Tc | 802.99 | K | Joback Calculated Property |
| Tfus | 357.56 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.40; 415.09] | J/mol×K | [584.00; 802.99] | 
|
| Cp,gas | 347.40 | J/mol×K | 584.00 | Joback Calculated Property |
| Cp,gas | 360.45 | J/mol×K | 620.50 | Joback Calculated Property |
| Cp,gas | 372.76 | J/mol×K | 657.00 | Joback Calculated Property |
| Cp,gas | 384.36 | J/mol×K | 693.49 | Joback Calculated Property |
| Cp,gas | 395.27 | J/mol×K | 729.99 | Joback Calculated Property |
| Cp,gas | 405.51 | J/mol×K | 766.49 | Joback Calculated Property |
| Cp,gas | 415.09 | J/mol×K | 802.99 | Joback Calculated Property |
| η | [0.0002288; 0.0013598] | Pa×s | [357.56; 584.00] |
|
| η | 0.0013598 | Pa×s | 357.56 | Joback Calculated Property |
| η | 0.0008768 | Pa×s | 395.30 | Joback Calculated Property |
| η | 0.0006103 | Pa×s | 433.04 | Joback Calculated Property |
| η | 0.0004502 | Pa×s | 470.78 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 508.52 | Joback Calculated Property |
| η | 0.0002779 | Pa×s | 546.26 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 584.00 | Joback Calculated Property |
Similar Compounds
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Sources
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