- InChI
- InChI=1S/C18H21NO/c1-2-3-18(20)16-10-6-14(7-11-16)4-5-15-8-12-17(19)13-9-15/h6-13H,2-5,19H2,1H3
- InChI Key
- QNTHPWZRRASATN-UHFFFAOYSA-N
- Formula
- C18H21NO
- SMILES
-
CCCC(=O)c1ccc(CCc2ccc(N)cc2)cc
1 - Molecular Weight1
- 267.37
- CAS
- 17438-50-5
- 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 |
|---|---|---|---|
| ΔfG° | 243.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.92 | kJ/mol | Joback Calculated Property |
| IE | 8.10 ± 0.20 | eV | NIST |
| log10WS | -5.02 | Crippen Calculated Property | |
| logPoct/wat | 4.037 | Crippen Calculated Property | |
| McVol | 228.510 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Tboil | 800.96 | K | Joback Calculated Property |
| Tc | 1035.28 | K | Joback Calculated Property |
| Tfus | 503.69 | K | Joback Calculated Property |
| Vc | 0.863 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.46; 739.09] | J/mol×K | [800.96; 1035.28] | 
|
| Cp,gas | 662.46 | J/mol×K | 800.96 | Joback Calculated Property |
| Cp,gas | 677.95 | J/mol×K | 840.01 | Joback Calculated Property |
| Cp,gas | 692.26 | J/mol×K | 879.07 | Joback Calculated Property |
| Cp,gas | 705.45 | J/mol×K | 918.12 | Joback Calculated Property |
| Cp,gas | 717.60 | J/mol×K | 957.17 | Joback Calculated Property |
| Cp,gas | 728.79 | J/mol×K | 996.22 | Joback Calculated Property |
| Cp,gas | 739.09 | J/mol×K | 1035.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Aminophenyl)-2-(4-butyrylphenyl)ethane.
Sources
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