- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.95; 479.39] | J/mol×K | [615.69; 859.90] | 
|
| Cp,gas | 399.95 | J/mol×K | 615.69 | Joback Calculated Property |
| Cp,gas | 416.07 | J/mol×K | 656.39 | Joback Calculated Property |
| Cp,gas | 430.93 | J/mol×K | 697.09 | Joback Calculated Property |
| Cp,gas | 444.62 | J/mol×K | 737.80 | Joback Calculated Property |
| Cp,gas | 457.21 | J/mol×K | 778.50 | Joback Calculated Property |
| Cp,gas | 468.77 | J/mol×K | 819.20 | Joback Calculated Property |
| Cp,gas | 479.39 | J/mol×K | 859.90 | Joback Calculated Property |
| η | [0.0001719; 0.0017974] | Pa×s | [342.82; 615.69] |
|
| η | 0.0017974 | Pa×s | 342.82 | Joback Calculated Property |
| η | 0.0009666 | Pa×s | 388.30 | Joback Calculated Property |
| η | 0.0005921 | Pa×s | 433.78 | Joback Calculated Property |
| η | 0.0003980 | Pa×s | 479.26 | Joback Calculated Property |
| η | 0.0002866 | Pa×s | 524.73 | Joback Calculated Property |
| η | 0.0002175 | Pa×s | 570.21 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 615.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bibenzyl, 3-chloro-.
Sources
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