- InChI
- InChI=1S/C14H13Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
- InChI Key
- NWVGKFZMBBPAJL-UHFFFAOYSA-N
- Formula
- C14H13Cl
- SMILES
- Clc1cccc(CCc2ccccc2)c1
- Molecular Weight1
- 216.71
- CAS
- 34176-92-6
- Other Names
-
- 1-Chloro-3-(2-phenylethyl)benzene
- 1-(3-Chlorophenyl)-2-phenylethane
- 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).
- 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 | 0.4652 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.125 | Crippen Calculated Property | |
| McVol | 172.840 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 577.07 | K | Relay (1.0) Calculated Property |
| Tc | 815.03 | K | Relay (1.0) Calculated Property |
| Tfus | 286.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.92; 509.78] | 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 | -5.04580e+01 | |||
| Coefficient B | 1.12330e+00 | |||
| Coefficient C | -7.53560e-04 | |||
| Coefficient D | 1.90500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 354.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 450.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 473.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 493.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017974; 0.0001839] | Pa×s | [342.82; 601.93] |
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 | -1.16174e+01 | |||
| Coefficient B | 1.81558e+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. | 342.82 | |||
| Temperature range, max. | 601.93 | |||
| η | 0.0017974 | Pa×s | 342.82 | Calculated Property |
| η | 0.0011925 | Pa×s | 371.61 | Calculated Property |
| η | 0.0008392 | Pa×s | 400.40 | Calculated Property |
| η | 0.0006191 | Pa×s | 429.19 | Calculated Property |
| η | 0.0004746 | Pa×s | 457.98 | Calculated Property |
| η | 0.0003754 | Pa×s | 486.77 | Calculated Property |
| η | 0.0003048 | Pa×s | 515.56 | Calculated Property |
| η | 0.0002530 | Pa×s | 544.35 | Calculated Property |
| η | 0.0002140 | Pa×s | 573.14 | Calculated Property |
| η | 0.0001839 | Pa×s | 601.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Bibenzyl, 3-chloro-.
Sources
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