![Benzo[b]benzo[3,4]cyclobuta[1,2-e][1,4]dioxin, 4b,10a-dihydro-4b-phenyl-](/cid/64-273-8/Benzo-b-benzo-3-4-cyclobuta-1-2-e-1-4-dioxin-4b-10a-dihydro-4b-phenyl.png "Benzo[b]benzo[3,4]cyclobuta[1,2-e][1,4]dioxin, 4b,10a-dihydro-4b-phenyl-")
- InChI
- InChI=1S/C20H14O2/c1-2-8-14(9-3-1)20-16-11-5-4-10-15(16)19(20)21-17-12-6-7-13-18(17)22-20/h1-13,19H
- InChI Key
- PSQTZUPHZFJNTH-UHFFFAOYSA-N
- Formula
- C20H14O2
- SMILES
-
c1ccc(C23Oc4ccccc4OC2c2ccccc23
)cc1 - Molecular Weight1
- 286.32
- CAS
- 53486-88-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfG° | 403.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 139.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.62 | kJ/mol | Joback Calculated Property |
| IE | 7.58 ± 0.02 | eV | NIST |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 211.400 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Tboil | 806.08 | K | Joback Calculated Property |
| Tc | 1082.32 | K | Joback Calculated Property |
| Tfus | 539.42 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.55; 728.04] | J/mol×K | [806.08; 1082.32] | 
|
| Cp,gas | 618.55 | J/mol×K | 806.08 | Joback Calculated Property |
| Cp,gas | 635.63 | J/mol×K | 852.12 | Joback Calculated Property |
| Cp,gas | 652.56 | J/mol×K | 898.16 | Joback Calculated Property |
| Cp,gas | 669.80 | J/mol×K | 944.20 | Joback Calculated Property |
| Cp,gas | 687.82 | J/mol×K | 990.24 | Joback Calculated Property |
| Cp,gas | 707.08 | J/mol×K | 1036.28 | Joback Calculated Property |
| Cp,gas | 728.04 | J/mol×K | 1082.32 | Joback Calculated Property |
Similar Compounds
Sources
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