- InChI
- InChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
- InChI Key
- CDLPUTDLLBHWRA-UHFFFAOYSA-N
- Formula
- C15H16O
- SMILES
- OC(Cc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 212.29
- CAS
- 5381-92-0
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6734 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 180.560 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Tboil | 602.12 | K | Relay (1.0) Calculated Property |
| Tc | 851.79 | K | Relay (1.0) Calculated Property |
| Tfus | 336.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.52; 553.42] | J/mol×K | [687.70; 907.90] | 
|
| Cp,gas | 480.52 | J/mol×K | 687.70 | Joback Calculated Property |
| Cp,gas | 495.10 | J/mol×K | 724.40 | Joback Calculated Property |
| Cp,gas | 508.61 | J/mol×K | 761.10 | Joback Calculated Property |
| Cp,gas | 521.13 | J/mol×K | 797.80 | Joback Calculated Property |
| Cp,gas | 532.73 | J/mol×K | 834.50 | Joback Calculated Property |
| Cp,gas | 543.47 | J/mol×K | 871.20 | Joback Calculated Property |
| Cp,gas | 553.42 | J/mol×K | 907.90 | Joback Calculated Property |
| η | [0.0000391; 0.0045836] | Pa×s | [357.47; 687.70] |
|
| η | 0.0045836 | Pa×s | 357.47 | Joback Calculated Property |
| η | 0.0012196 | Pa×s | 412.51 | Joback Calculated Property |
| η | 0.0004432 | Pa×s | 467.55 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 522.59 | Joback Calculated Property |
| η | 0.0001044 | Pa×s | 577.62 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 632.66 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 687.70 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 471.20 | K | 2.70 | NIST |
Similar Compounds
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Sources
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