![Benzene, [1-(chloromethyl)butyl]](/cid/45-594-3/Benzene-1-chloromethyl-butyl.png "Benzene, [1-(chloromethyl)butyl]")
- InChI
- InChI=1S/C11H15Cl/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3
- InChI Key
- OMCKNCCLQJXVEQ-UHFFFAOYSA-N
- Formula
- C11H15Cl
- SMILES
- CCCC(CCl)c1ccccc1
- Molecular Weight1
- 182.69
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3982 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -66.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.809 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | [1308.00; 1308.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Tboil | 511.30 | K | Relay (1.0) Calculated Property |
| Tc | 729.61 | K | Relay (1.0) Calculated Property |
| Tfus | 249.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [194.67; 477.11] | 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 | -2.98070e+01 | |||
| Coefficient B | 9.82620e-01 | |||
| Coefficient C | -6.29400e-04 | |||
| Coefficient D | 1.53700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 330.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 364.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 394.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 420.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 442.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 461.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 477.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049594; 0.0002218] | Pa×s | [255.07; 508.96] |
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 | -1.15352e+01 | |||
| Coefficient B | 1.58876e+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. | 255.07 | |||
| Temperature range, max. | 508.96 | |||
| η | 0.0049594 | Pa×s | 255.07 | Calculated Property |
| η | 0.0026671 | Pa×s | 283.28 | Calculated Property |
| η | 0.0016049 | Pa×s | 311.49 | Calculated Property |
| η | 0.0010508 | Pa×s | 339.70 | Calculated Property |
| η | 0.0007341 | Pa×s | 367.91 | Calculated Property |
| η | 0.0005398 | Pa×s | 396.12 | Calculated Property |
| η | 0.0004134 | Pa×s | 424.33 | Calculated Property |
| η | 0.0003274 | Pa×s | 452.54 | Calculated Property |
| η | 0.0002664 | Pa×s | 480.75 | Calculated Property |
| η | 0.0002218 | Pa×s | 508.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, [1-(chloromethyl)butyl].
Sources
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