- InChI
- InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3
- InChI Key
- UPZKJIHNKKJIKX-UHFFFAOYSA-N
- Formula
- C19H21N
- SMILES
-
CCC1=NC(C)CC1(c1ccccc1)c1ccccc
1 - Molecular Weight1
- 263.38
- CAS
- 102177-18-4
- 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 | 0.4180 | Relay (1.0) Calculated Property | |
| ΔfG° | 494.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 257.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.616 | Crippen Calculated Property | |
| McVol | 225.870 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Tboil | 600.20 | K | Relay (1.0) Calculated Property |
| Tc | 873.60 | K | Relay (1.0) Calculated Property |
| Tfus | 364.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.21; 788.41] | J/mol×K | [756.17; 1020.68] |
|
| Cp,gas | 672.21 | J/mol×K | 756.17 | Joback Calculated Property |
| Cp,gas | 694.01 | J/mol×K | 800.25 | Joback Calculated Property |
| Cp,gas | 714.49 | J/mol×K | 844.34 | Joback Calculated Property |
| Cp,gas | 733.92 | J/mol×K | 888.42 | Joback Calculated Property |
| Cp,gas | 752.55 | J/mol×K | 932.51 | Joback Calculated Property |
| Cp,gas | 770.63 | J/mol×K | 976.59 | Joback Calculated Property |
| Cp,gas | 788.41 | J/mol×K | 1020.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to EMDP.
Sources
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