- InChI
- InChI=1S/C39H30N6/c1-7-19-31(20-8-1)43(32-21-9-2-10-22-32)37-40-38(44(33-23-11-3-12-24-33)34-25-13-4-14-26-34)42-39(41-37)45(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
- InChI Key
- YGXMMMPUTDCEAF-UHFFFAOYSA-N
- Formula
- C39H30N6
- SMILES
-
c1ccc(N(c2ccccc2)c2nc(N(c3cccc
c3)c3ccccc3)nc(N(c3ccccc3)c3cc ccc3)n2)cc1 - Molecular Weight1
- 582.70
- CAS
- 18343-40-3
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase 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).
- 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 1.0781 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -20095.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | 1176.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 895.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 460.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | 202.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.281 | Crippen Calculated Property | |
| McVol | 453.930 | ml/mol | McGowan Calculated Property |
| Pc | 3124.00 | kPa | Relay (1.0-beta) Calculated Property |
| S°solid,1 bar | 673.70 | J/mol×K | NIST |
| Tboil | 907.76 | K | Relay (1.0) Calculated Property |
| Tc | 1483.60 | K | Relay (1.0) Calculated Property |
| Tfus | 558.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 665.80 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to Hexaphenylmelamine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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