- InChI
- InChI=1S/C42H28O2/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)38(30-19-7-2-8-20-30)40-39(37)41(31-21-9-3-10-22-31)35-27-15-16-28-36(35)42(40,44-43-41)32-23-11-4-12-24-32/h1-28H
- InChI Key
- AQMPDRUEYIQQCY-UHFFFAOYSA-N
- Formula
- C42H28O2
- SMILES
-
c1ccc(-c2c3c(c(-c4ccccc4)c4ccc
cc24)C2(c4ccccc4)OOC3(c3ccccc3 )c3ccccc32)cc1 - Molecular Weight1
- 564.67
- CAS
- 32287-37-9
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -21046.00 ± 21.00 | kJ/mol | NIST |
| ΔfG° | 998.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 567.09 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 517.00 ± 21.00 | kJ/mol | NIST |
| ΔfusH° | 67.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.89 | kJ/mol | Joback Calculated Property |
| log10WS | -13.76 | Crippen Calculated Property | |
| logPoct/wat | 10.033 | Crippen Calculated Property | |
| McVol | 430.640 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Tboil | 1423.64 | K | Joback Calculated Property |
| Tc | 1749.02 | K | Joback Calculated Property |
| Tfus | 960.78 | K | Joback Calculated Property |
| Vc | 1.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1906.54; 2840.44] | J/mol×K | [1423.64; 1749.02] | 
|
| Cp,gas | 1906.54 | J/mol×K | 1423.64 | Joback Calculated Property |
| Cp,gas | 2020.22 | J/mol×K | 1477.87 | Joback Calculated Property |
| Cp,gas | 2148.86 | J/mol×K | 1532.10 | Joback Calculated Property |
| Cp,gas | 2293.82 | J/mol×K | 1586.33 | Joback Calculated Property |
| Cp,gas | 2456.49 | J/mol×K | 1640.56 | Joback Calculated Property |
| Cp,gas | 2638.24 | J/mol×K | 1694.79 | Joback Calculated Property |
| Cp,gas | 2840.44 | J/mol×K | 1749.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,12-Dihydro-5,6,11,12-tetraphenyl-5,12-epidioxy naphthacene.
Sources
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