- InChI
- InChI=1S/C12H17Cl/c1-9-4-5-10(2)12(8-9)7-6-11(3)13/h4-5,8,11H,6-7H2,1-3H3
- InChI Key
- WHGMHBOCPNYHGF-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- Cc1ccc(C)c(CCC(C)Cl)c1
- Molecular Weight1
- 196.72
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4757 | Relay (1.0) Calculated Property | |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.75 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.863 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 539.35 | K | Relay (1.0) Calculated Property |
| Tc | 740.80 | K | Relay (1.0) Calculated Property |
| Tfus | 276.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.98; 522.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.11800e+00 | |||
| Coefficient B | 9.58660e-01 | |||
| Coefficient C | -5.49720e-04 | |||
| Coefficient D | 1.15800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 320.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 398.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 459.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 504.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 522.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023617; 0.0002041] | Pa×s | [291.38; 531.14] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14722e+01 | |||
| Coefficient B | 1.58040e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 291.38 | |||
| Temperature range, max. | 531.14 | |||
| η | 0.0023617 | Pa×s | 291.38 | Calculated Property |
| η | 0.0014994 | Pa×s | 318.02 | Calculated Property |
| η | 0.0010211 | Pa×s | 344.66 | Calculated Property |
| η | 0.0007349 | Pa×s | 371.30 | Calculated Property |
| η | 0.0005527 | Pa×s | 397.94 | Calculated Property |
| η | 0.0004308 | Pa×s | 424.58 | Calculated Property |
| η | 0.0003458 | Pa×s | 451.22 | Calculated Property |
| η | 0.0002844 | Pa×s | 477.86 | Calculated Property |
| η | 0.0002389 | Pa×s | 504.50 | Calculated Property |
| η | 0.0002041 | Pa×s | 531.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(3-chlorobutyl)-1,4-dimethyl.
Sources
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