- InChI
- InChI=1S/C10H13NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
- InChI Key
- UMLWXYJZDNNBTD-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- CN(C)CC(=O)c1ccccc1
- Molecular Weight1
- 163.22
- CAS
- 3319-03-7
- Other Names
-
- Acetophenone, 2-(dimethylamino)-
- «alpha»-(Dimethylamino)acetophenone
- [(Dimethylamino)acetyl]benzene
- 2-(Dimethylamino)acetophenone
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ω | 0.4555 | Relay (... Calculated Property | |
| ΔcH°liquid | -5676.99 ± 0.93 | kJ/mol | NIST |
| ΔfG° | 127.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.30 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -116.00 ± 0.98 | kJ/mol | NIST |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [69.66; 69.70] | kJ/mol |
|
| ΔvapH° | 69.66 ± 0.54 | kJ/mol | NIST |
| ΔvapH° | 69.70 ± 0.50 | kJ/mol | NIST |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -1.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.431 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Tboil | 511.94 | K | Relay (... Calculated Property |
| Tc | 722.02 | K | Relay (... Calculated Property |
| Tfus | 311.37 | K | Relay (... Calculated Property |
| Vc | 0.516 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.15; 385.14] | J/mol×K | [521.19; 732.99] |
|
| Cp,gas | 310.15 | J/mol×K | 521.19 | Joback Calculated Property |
| Cp,gas | 324.85 | J/mol×K | 556.49 | Joback Calculated Property |
| Cp,gas | 338.60 | J/mol×K | 591.79 | Joback Calculated Property |
| Cp,gas | 351.47 | J/mol×K | 627.09 | Joback Calculated Property |
| Cp,gas | 363.49 | J/mol×K | 662.39 | Joback Calculated Property |
| Cp,gas | 374.69 | J/mol×K | 697.69 | Joback Calculated Property |
| Cp,gas | 385.14 | J/mol×K | 732.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-(dimethylamino)-1-phenyl-.
Sources
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