- InChI
- InChI=1S/C11H15Cl/c1-3-4-11-7-10(8-12)6-5-9(11)2/h5-7H,3-4,8H2,1-2H3
- InChI Key
- HZVZMQXEFWZFHU-UHFFFAOYSA-N
- Formula
- C11H15Cl
- SMILES
- CCCc1cc(CCl)ccc1C
- Molecular Weight1
- 182.69
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4761 | Relay (1.0) Calculated Property | |
| ΔfusH° | 21.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.686 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1452.00; 1452.00] |
|
|
| Inp | 1452.00 | NIST | |
| Inp | 1452.00 | NIST | |
| Tboil | 526.69 | K | Relay (1.0) Calculated Property |
| Tc | 734.06 | K | Relay (1.0) Calculated Property |
| Tfus | 294.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [200.08; 470.49] | 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 | 4.73000e-01 | |||
| Coefficient B | 8.57740e-01 | |||
| Coefficient C | -4.92120e-04 | |||
| Coefficient D | 1.04400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 200.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 246.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 288.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 326.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 359.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 387.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 435.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018269; 0.0002252] | Pa×s | [295.11; 514.57] |
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 | -1.12132e+01 | |||
| Coefficient B | 1.44842e+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. | 295.11 | |||
| Temperature range, max. | 514.57 | |||
| η | 0.0018269 | Pa×s | 295.11 | Calculated Property |
| η | 0.0012561 | Pa×s | 319.49 | Calculated Property |
| η | 0.0009108 | Pa×s | 343.88 | Calculated Property |
| η | 0.0006891 | Pa×s | 368.26 | Calculated Property |
| η | 0.0005398 | Pa×s | 392.65 | Calculated Property |
| η | 0.0004351 | Pa×s | 417.03 | Calculated Property |
| η | 0.0003591 | Pa×s | 441.42 | Calculated Property |
| η | 0.0003024 | Pa×s | 465.80 | Calculated Property |
| η | 0.0002591 | Pa×s | 490.19 | Calculated Property |
| η | 0.0002252 | Pa×s | 514.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 3-butyl-1(chloromethyl)-4-methyl.
Sources
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