- InChI
- InChI=1S/C10H13NO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7H,2,4,11H2,1H3
- InChI Key
- JQHVNKSERJZHCO-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- CCCC(=O)c1cccc(N)c1
- Molecular Weight1
- 163.22
- CAS
- 2034-41-5
- 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° | 73.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -103.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| IE | 8.10 ± 0.20 | eV | NIST |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.252 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Tboil | 586.26 | K | Joback Calculated Property |
| Tc | 811.30 | K | Joback Calculated Property |
| Tfus | 374.59 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.24; 400.96] | J/mol×K | [586.26; 811.30] | 
|
| Cp,gas | 333.24 | J/mol×K | 586.26 | Joback Calculated Property |
| Cp,gas | 346.54 | J/mol×K | 623.77 | Joback Calculated Property |
| Cp,gas | 358.98 | J/mol×K | 661.27 | Joback Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 698.78 | Joback Calculated Property |
| Cp,gas | 381.46 | J/mol×K | 736.29 | Joback Calculated Property |
| Cp,gas | 391.57 | J/mol×K | 773.79 | Joback Calculated Property |
| Cp,gas | 400.96 | J/mol×K | 811.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3-Aminophenyl)-1-butanone.
Sources
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