- InChI
- InChI=1S/C15H18N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10,16-17H,11H2,1-2H3
- InChI Key
- ZMVMYBGDGJLCHV-UHFFFAOYSA-N
- Formula
- C15H18N2
- SMILES
- CNc1ccc(Cc2ccc(NC)cc2)cc1
- Molecular Weight1
- 226.32
- CAS
- 1807-55-2
- 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 | 0.6590 | Relay (1.0) Calculated Property | |
| ΔfG° | 459.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 171.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.361 | Crippen Calculated Property | |
| McVol | 194.650 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Tboil | 641.67 | K | Relay (1.0) Calculated Property |
| Tc | 922.29 | K | Relay (1.0) Calculated Property |
| Tfus | 369.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.64; 623.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.23790e+01 | |||
| Coefficient B | 1.30444e+00 | |||
| Coefficient C | -8.17720e-04 | |||
| Coefficient D | 1.89500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 315.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 375.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 428.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 474.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 514.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 548.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 578.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 602.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 623.84 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Methylene-bis-(n-methylaniline).
Sources
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