- InChI
- InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3
- InChI Key
- NTMXFHGYWJIAAE-UHFFFAOYSA-N
- Formula
- C8H15NO2
- SMILES
- CCN(CC)C(=O)CC(C)=O
- Molecular Weight1
- 157.21
- Other Names
-
- Acetoacetamide, N,N-diethyl-
- Diethylacetoacetamide
- N,N-Diethylacetoacetamide
- 1-(Diethylcarbamoyl)-2-propanone
- Acetoacetdiethylamide
- Diethylamid kyseliny acetoctove
- N,N-diethyl-3-oxobutyramide
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5160 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.834 | Crippen Calculated Property | |
| McVol | 136.700 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Tboil | 503.62 | K | Relay (1.0) Calculated Property |
| Tc | 695.52 | K | Relay (1.0) Calculated Property |
| Tfus | 279.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.55; 448.12] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.57000e-01 | |||
| Coefficient B | 8.31760e-01 | |||
| Coefficient C | -4.86600e-04 | |||
| Coefficient D | 1.03320e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 237.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 395.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 415.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 433.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N,N-diethyl-3-oxo-.
Sources
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