- InChI
- InChI=1S/C18H19NO3/c1-2-3-18(20)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)19(21)22/h6-13H,2-5H2,1H3
- InChI Key
- HQXSMDGREYUOEZ-UHFFFAOYSA-N
- Formula
- C18H19NO3
- SMILES
-
CCCC(=O)c1ccc(CCc2ccc([N+](=O)
[O-])cc2)cc1 - Molecular Weight1
- 297.35
- CAS
- 17302-70-4
- 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° | 212.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.88 | kJ/mol | Joback Calculated Property |
| IE | 9.10 ± 0.20 | eV | NIST |
| log10WS | -6.04 | Crippen Calculated Property | |
| logPoct/wat | 4.363 | Crippen Calculated Property | |
| McVol | 235.950 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Tboil | 880.27 | K | Joback Calculated Property |
| Tc | 1126.60 | K | Joback Calculated Property |
| Tfus | 564.04 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.54; 769.46] | J/mol×K | [880.27; 1126.60] | 
|
| Cp,gas | 703.54 | J/mol×K | 880.27 | Joback Calculated Property |
| Cp,gas | 717.17 | J/mol×K | 921.33 | Joback Calculated Property |
| Cp,gas | 729.63 | J/mol×K | 962.38 | Joback Calculated Property |
| Cp,gas | 741.00 | J/mol×K | 1003.44 | Joback Calculated Property |
| Cp,gas | 751.37 | J/mol×K | 1044.49 | Joback Calculated Property |
| Cp,gas | 760.83 | J/mol×K | 1085.55 | Joback Calculated Property |
| Cp,gas | 769.46 | J/mol×K | 1126.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane.
Sources
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