- InChI
- InChI=1S/C42H28O/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(40,43-41)32-23-11-4-12-24-32/h1-28H
- InChI Key
- RHSJHTZJVINNOH-UHFFFAOYSA-N
- Formula
- C42H28O
- SMILES
-
c1ccc(-c2c3c(c(-c4ccccc4)c4ccc
cc24)C2(c4ccccc4)OC3(c3ccccc3) c3ccccc32)cc1 - Molecular Weight1
- 548.67
- CAS
- 127257-80-1
- 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).
- 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° | 1096.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 705.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.21 | kJ/mol | Joback Calculated Property |
| log10WS | -13.68 | Crippen Calculated Property | |
| logPoct/wat | 10.101 | Crippen Calculated Property | |
| McVol | 424.770 | ml/mol | McGowan Calculated Property |
| Pc | 1250.38 | kPa | Joback Calculated Property |
| Tboil | 1392.42 | K | Joback Calculated Property |
| Tc | 1713.06 | K | Joback Calculated Property |
| Tfus | 937.73 | K | Joback Calculated Property |
| Vc | 1.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1839.98; 2730.50] | J/mol×K | [1392.42; 1713.06] | 
|
| Cp,gas | 1839.98 | J/mol×K | 1392.42 | Joback Calculated Property |
| Cp,gas | 1948.03 | J/mol×K | 1445.86 | Joback Calculated Property |
| Cp,gas | 2070.43 | J/mol×K | 1499.30 | Joback Calculated Property |
| Cp,gas | 2208.53 | J/mol×K | 1552.74 | Joback Calculated Property |
| Cp,gas | 2363.67 | J/mol×K | 1606.18 | Joback Calculated Property |
| Cp,gas | 2537.21 | J/mol×K | 1659.62 | Joback Calculated Property |
| Cp,gas | 2730.50 | J/mol×K | 1713.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetraphenylnaphthacene monoxide.
Sources
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