- InChI
- InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
- InChI Key
- VFPKIWATTACVJR-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CC(=O)CN(C)C
- Molecular Weight1
- 101.15
- CAS
- 15364-56-4
- Other Names
-
- (Dimethylamino)acetone
- N,N-Dimethylaminoacetone
- 1-(Dimethylamino)-2-propanone
- 1-Dimethylaminoacetone
- (CH3)2NCH2COCH3
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3315.90 ± 2.90 | kJ/mol | NIST |
| ΔfG° | -26.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.10 ± 2.90 | kJ/mol | NIST |
| ΔfH°liquid | -223.70 ± 2.90 | kJ/mol | NIST |
| ΔfusH° | 13.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.60; 43.60] | kJ/mol |
|
| ΔvapH° | 43.60 ± 0.25 | kJ/mol | NIST |
| ΔvapH° | 43.60 ± 0.30 | kJ/mol | NIST |
| IE | [7.71; 8.65] | eV |
|
| IE | 7.71 ± 0.03 | eV | NIST |
| IE | 7.71 ± 0.05 | eV | NIST |
| IE | 8.65 | eV | NIST |
| log10WS | 0.23 | Crippen Calculated Property | |
| logPoct/wat | 0.137 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Inp | [712.00; 712.00] |
|
|
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Tboil | 392.70 | K | NIST |
| Tc | 556.89 | K | Joback Calculated Property |
| Tfus | 228.51 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.27; 222.23] | J/mol×K | [380.11; 556.89] |
|
| Cp,gas | 168.27 | J/mol×K | 380.11 | Joback Calculated Property |
| Cp,gas | 178.30 | J/mol×K | 409.57 | Joback Calculated Property |
| Cp,gas | 187.90 | J/mol×K | 439.04 | Joback Calculated Property |
| Cp,gas | 197.08 | J/mol×K | 468.50 | Joback Calculated Property |
| Cp,gas | 205.86 | J/mol×K | 497.96 | Joback Calculated Property |
| Cp,gas | 214.24 | J/mol×K | 527.43 | Joback Calculated Property |
| Cp,gas | 222.23 | J/mol×K | 556.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-(dimethylamino)-.
Sources
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