- InChI
- InChI=1S/C7H15NO/c1-4-8(5-2)6-7(3)9/h4-6H2,1-3H3
- InChI Key
- GDXMMBDEMOUTNS-UHFFFAOYSA-N
- Formula
- C7H15NO
- SMILES
- CCN(CC)CC(C)=O
- Molecular Weight1
- 129.20
- CAS
- 1620-14-0
- Other Names
-
- 2-Propanone, 1-(diethylamino)-
- N,N-Diethylaminoacetone
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | -4617.30 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -10.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.30 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -281.00 ± 2.20 | kJ/mol | NIST |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.70; 47.70] | kJ/mol |
|
| ΔvapH° | 47.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 47.70 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.917 | Crippen Calculated Property | |
| McVol | 121.040 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Tboil | 425.87 | K | Joback Calculated Property |
| Tc | 600.81 | K | Joback Calculated Property |
| Tfus | 251.05 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.86; 311.69] | J/mol×K | [425.87; 600.81] |
|
| Cp,gas | 244.86 | J/mol×K | 425.87 | Joback Calculated Property |
| Cp,gas | 257.29 | J/mol×K | 455.03 | Joback Calculated Property |
| Cp,gas | 269.17 | J/mol×K | 484.18 | Joback Calculated Property |
| Cp,gas | 280.54 | J/mol×K | 513.34 | Joback Calculated Property |
| Cp,gas | 291.41 | J/mol×K | 542.50 | Joback Calculated Property |
| Cp,gas | 301.79 | J/mol×K | 571.65 | Joback Calculated Property |
| Cp,gas | 311.69 | J/mol×K | 600.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 337.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to Diethylaminoacetone.
Sources
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