- InChI
- InChI=1S/C9H11Cl/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,1-2H3
- InChI Key
- WQLQKKZHEUQVBU-UHFFFAOYSA-N
- Formula
- C9H11Cl
- SMILES
- Cc1ccc(C(C)Cl)cc1
- Molecular Weight1
- 154.64
- 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 | 0.3502 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.295 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 3103.64 | kPa | Joback Calculated Property |
| Inp | [1149.00; 1149.00] |
|
|
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Tboil | 477.97 | K | Relay (1.0) Calculated Property |
| Tc | 695.87 | K | Relay (1.0) Calculated Property |
| Tfus | 265.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.79; 370.89] | 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 | -1.36900e+01 | |||
| Coefficient B | 7.33140e-01 | |||
| Coefficient C | -4.53560e-04 | |||
| Coefficient D | 1.05000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 307.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 370.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033321; 0.0002173] | Pa×s | [245.05; 486.08] |
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 | -1.12099e+01 | |||
| Coefficient B | 1.34918e+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. | 245.05 | |||
| Temperature range, max. | 486.08 | |||
| η | 0.0033321 | Pa×s | 245.05 | Calculated Property |
| η | 0.0019370 | Pa×s | 271.83 | Calculated Property |
| η | 0.0012411 | Pa×s | 298.61 | Calculated Property |
| η | 0.0008557 | Pa×s | 325.39 | Calculated Property |
| η | 0.0006243 | Pa×s | 352.17 | Calculated Property |
| η | 0.0004762 | Pa×s | 378.95 | Calculated Property |
| η | 0.0003765 | Pa×s | 405.74 | Calculated Property |
| η | 0.0003064 | Pa×s | 432.52 | Calculated Property |
| η | 0.0002555 | Pa×s | 459.30 | Calculated Property |
| η | 0.0002173 | Pa×s | 486.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(1-chloroethyl)-4-methyl.
Sources
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