- InChI
- InChI=1S/C30H28N2/c1-3-31(28-17-16-23-10-5-6-12-25(23)22-28)26-18-20-27(21-19-26)32(4-2)30-15-9-13-24-11-7-8-14-29(24)30/h5-22H,3-4H2,1-2H3
- InChI Key
- BESXXJJZYXDIQA-UHFFFAOYSA-N
- Formula
- C30H28N2
- SMILES
-
CCN(c1ccc(N(CC)c2cccc3ccccc23)
cc1)c1ccc2ccccc2c1 - Molecular Weight1
- 416.56
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.9014 | Relay (1.0) Calculated Property | |
| ΔfG° | 944.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 357.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 158.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.309 | Crippen Calculated Property | |
| McVol | 343.320 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Tboil | 834.46 | K | Relay (1.0) Calculated Property |
| Tc | 1212.11 | K | Relay (1.0) Calculated Property |
| Tfus | 440.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.245 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1115.37; 1221.19] | J/mol×K | [1043.62; 1300.89] | 
|
| Cp,gas | 1115.37 | J/mol×K | 1043.62 | Joback Calculated Property |
| Cp,gas | 1132.95 | J/mol×K | 1086.50 | Joback Calculated Property |
| Cp,gas | 1150.18 | J/mol×K | 1129.38 | Joback Calculated Property |
| Cp,gas | 1167.35 | J/mol×K | 1172.25 | Joback Calculated Property |
| Cp,gas | 1184.72 | J/mol×K | 1215.13 | Joback Calculated Property |
| Cp,gas | 1202.58 | J/mol×K | 1258.01 | Joback Calculated Property |
| Cp,gas | 1221.19 | J/mol×K | 1300.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylenediamine, n,n'-diethyl-n,n'-di-b-naphthyl-.
Sources
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