![Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]](/cid/43-726-8/Benzene-1-methyl-4-1-chloromethyl-1-methylethyl.png "Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]")
- InChI
- InChI=1S/C11H15Cl/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,8H2,1-3H3
- InChI Key
- IGNSPHANIMKLJM-UHFFFAOYSA-N
- Formula
- C11H15Cl
- SMILES
- Cc1ccc(C(C)(C)CCl)cc1
- Molecular Weight1
- 182.69
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3749 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [1353.00; 1353.00] |
|
|
| Inp | 1353.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Tboil | 513.10 | K | Relay (1.0) Calculated Property |
| Tc | 733.95 | K | Relay (1.0) Calculated Property |
| Tfus | 277.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.07; 475.00] | 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 | -3.82990e+01 | |||
| Coefficient B | 1.04306e+00 | |||
| Coefficient C | -7.30960e-04 | |||
| Coefficient D | 2.01200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 293.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 332.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 366.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 395.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 440.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032297; 0.0002078] | Pa×s | [285.01; 517.61] |
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 | -1.18412e+01 | |||
| Coefficient B | 1.74022e+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. | 285.01 | |||
| Temperature range, max. | 517.61 | |||
| η | 0.0032297 | Pa×s | 285.01 | Calculated Property |
| η | 0.0019440 | Pa×s | 310.85 | Calculated Property |
| η | 0.0012650 | Pa×s | 336.70 | Calculated Property |
| η | 0.0008751 | Pa×s | 362.54 | Calculated Property |
| η | 0.0006358 | Pa×s | 388.39 | Calculated Property |
| η | 0.0004808 | Pa×s | 414.23 | Calculated Property |
| η | 0.0003757 | Pa×s | 440.08 | Calculated Property |
| η | 0.0003017 | Pa×s | 465.92 | Calculated Property |
| η | 0.0002479 | Pa×s | 491.77 | Calculated Property |
| η | 0.0002078 | Pa×s | 517.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl].
Sources
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