- InChI
- InChI=1S/C16H12N2O2/c19-9-17-15-11-5-1-2-6-12(11)16(18-10-20)14-8-4-3-7-13(14)15/h1-10H,(H,17,19)(H,18,20)
- InChI Key
- PYSPQAXLYSCIOC-UHFFFAOYSA-N
- Formula
- C16H12N2O2
- SMILES
- O=CNc1c2ccccc2c(NC=O)c2ccccc12
- Molecular Weight1
- 264.28
- CAS
- 10303-96-5
- 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° | 360.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.130 | Crippen Calculated Property | |
| McVol | 196.720 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Tboil | 842.72 | K | Joback Calculated Property |
| Tc | 1082.81 | K | Joback Calculated Property |
| Tfus | 588.78 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.36; 608.64] | J/mol×K | [842.72; 1082.81] | 
|
| Cp,gas | 552.36 | J/mol×K | 842.72 | Joback Calculated Property |
| Cp,gas | 563.06 | J/mol×K | 882.73 | Joback Calculated Property |
| Cp,gas | 573.08 | J/mol×K | 922.75 | Joback Calculated Property |
| Cp,gas | 582.53 | J/mol×K | 962.76 | Joback Calculated Property |
| Cp,gas | 591.52 | J/mol×K | 1002.78 | Joback Calculated Property |
| Cp,gas | 600.19 | J/mol×K | 1042.79 | Joback Calculated Property |
| Cp,gas | 608.64 | J/mol×K | 1082.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthracene, 9,10-diformamido-.
Sources
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