- InChI
- InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
- InChI Key
- ARCJQKUWGAZPFX-OKILXGFUSA-N
- Formula
- C14H12O
- SMILES
- c1ccc(C2OC2c2ccccc2)cc1
- Molecular Weight1
- 196.24
- CAS
- 1689-71-0
- 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 | 0.3757 | Relay (... Calculated Property | |
| ΔfG° | 258.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.53 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | NIST |
| log10WS | -2.81 | Relay (... Calculated Property | |
| logPoct/wat | 3.499 | Crippen Calculated Property | |
| McVol | 155.610 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Tboil | 548.17 | K | Relay (... Calculated Property |
| Tc | 822.88 | K | Relay (... Calculated Property |
| Tfus | 372.56 | K | Relay (... Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.41; 477.83] | J/mol×K | [602.10; 856.76] | 
|
| Cp,gas | 390.41 | J/mol×K | 602.10 | Joback Calculated Property |
| Cp,gas | 408.45 | J/mol×K | 644.54 | Joback Calculated Property |
| Cp,gas | 424.95 | J/mol×K | 686.99 | Joback Calculated Property |
| Cp,gas | 440.01 | J/mol×K | 729.43 | Joback Calculated Property |
| Cp,gas | 453.76 | J/mol×K | 771.87 | Joback Calculated Property |
| Cp,gas | 466.33 | J/mol×K | 814.32 | Joback Calculated Property |
| Cp,gas | 477.83 | J/mol×K | 856.76 | Joback Calculated Property |
| η | [0.0004785; 0.0020960] | Pa×s | [340.65; 602.10] |
|
| η | 0.0020960 | Pa×s | 340.65 | Joback Calculated Property |
| η | 0.0014251 | Pa×s | 384.23 | Joback Calculated Property |
| η | 0.0010481 | Pa×s | 427.80 | Joback Calculated Property |
| η | 0.0008160 | Pa×s | 471.38 | Joback Calculated Property |
| η | 0.0006627 | Pa×s | 514.95 | Joback Calculated Property |
| η | 0.0005560 | Pa×s | 558.52 | Joback Calculated Property |
| η | 0.0004785 | Pa×s | 602.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bibenzyl, «alpha»,«alpha»'-epoxy-, cis-.
Sources
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