- InChI
- InChI=1S/C12H17Cl/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h5-9H,1-4H3
- InChI Key
- IJPBANLIWUXUPV-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- CC(C)c1cc(Cl)cc(C(C)C)c1
- Molecular Weight1
- 196.72
- CAS
- 87945-06-0
- 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).
- ΔfH°liquid : Liquid phase 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° | 126.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.72 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 170.00 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 4.587 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Tboil | 547.15 | K | Joback Calculated Property |
| Tc | 762.69 | K | Joback Calculated Property |
| Tfus | 276.38 | K | Joback Calculated Property |
| Vc | 0.636 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.33; 461.40] | J/mol×K | [547.15; 762.69] | 
|
| Cp,gas | 377.33 | J/mol×K | 547.15 | Joback Calculated Property |
| Cp,gas | 393.50 | J/mol×K | 583.07 | Joback Calculated Property |
| Cp,gas | 408.76 | J/mol×K | 619.00 | Joback Calculated Property |
| Cp,gas | 423.15 | J/mol×K | 654.92 | Joback Calculated Property |
| Cp,gas | 436.70 | J/mol×K | 690.85 | Joback Calculated Property |
| Cp,gas | 449.44 | J/mol×K | 726.77 | Joback Calculated Property |
| Cp,gas | 461.40 | J/mol×K | 762.69 | Joback Calculated Property |
| η | [0.0001754; 0.0031791] | Pa×s | [276.38; 547.15] |
|
| η | 0.0031791 | Pa×s | 276.38 | Joback Calculated Property |
| η | 0.0013976 | Pa×s | 321.51 | Joback Calculated Property |
| η | 0.0007522 | Pa×s | 366.64 | Joback Calculated Property |
| η | 0.0004637 | Pa×s | 411.76 | Joback Calculated Property |
| η | 0.0003145 | Pa×s | 456.89 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 502.02 | Joback Calculated Property |
| η | 0.0001754 | Pa×s | 547.15 | Joback Calculated Property |
Similar Compounds
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Sources
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