- InChI
- InChI=1S/C24H22N4O/c25-21-15-19(11-13-23(21)27-17-7-3-1-4-8-17)29-20-12-14-24(22(26)16-20)28-18-9-5-2-6-10-18/h1-16,27-28H,25-26H2
- InChI Key
- CVFQPTVXHUGUJS-UHFFFAOYSA-N
- Formula
- C24H22N4O
- SMILES
-
Nc1cc(Oc2ccc(Nc3ccccc3)c(N)c2)
ccc1Nc1ccccc1 - Molecular Weight1
- 382.46
- CAS
- 18888-98-7
- 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 | 0.9708 | Relay (1.0) Calculated Property | |
| ΔfG° | 769.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 278.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 159.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 299.770 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Tboil | 791.21 | K | Relay (1.0) Calculated Property |
| Tc | 1256.01 | K | Relay (1.0) Calculated Property |
| Tfus | 465.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.031 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [972.82; 1014.22] | J/mol×K | [1142.98; 1421.35] | 
|
| Cp,gas | 972.82 | J/mol×K | 1142.98 | Joback Calculated Property |
| Cp,gas | 982.05 | J/mol×K | 1189.38 | Joback Calculated Property |
| Cp,gas | 990.14 | J/mol×K | 1235.77 | Joback Calculated Property |
| Cp,gas | 997.24 | J/mol×K | 1282.17 | Joback Calculated Property |
| Cp,gas | 1003.52 | J/mol×K | 1328.56 | Joback Calculated Property |
| Cp,gas | 1009.12 | J/mol×K | 1374.96 | Joback Calculated Property |
| Cp,gas | 1014.22 | J/mol×K | 1421.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dianilino-3,3'-diaminodiphenyl oxide.
Sources
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