- InChI
- InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3
- InChI Key
- HHRZAEJMHSGZNP-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CC(NN)c1ccccc1
- Molecular Weight1
- 136.20
- Other Names
-
- mebanazine
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3947 | Relay (1.0) Calculated Property | |
| ΔfG° | 282.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 180.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.211 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Inp | 1240.00 | NIST | |
| Tboil | 505.16 | K | Relay (1.0) Calculated Property |
| Tc | 734.15 | K | Relay (1.0) Calculated Property |
| Tfus | 296.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.18; 386.93] | 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 | -3.46900e+01 | |||
| Coefficient B | 8.28920e-01 | |||
| Coefficient C | -5.37800e-04 | |||
| Coefficient D | 1.30500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 197.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 234.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 267.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 320.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 341.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 374.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 386.93 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Mebenazine.
Sources
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