- InChI
- InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
- InChI Key
- XLEOCTUCGZANAC-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CCN(CC)CCC(C)=O
- Molecular Weight1
- 143.23
- CAS
- 3299-38-5
- Other Names
-
- 1-(Diethylamino)-3-butanone
- 4-(Diethylamino)-2-butanone
- 4-(N,N-Diethylamino)butan-2-one
- 4-(diethylamino)butan-2-one
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.4619 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.307 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [1025.00; 1025.00] |
|
|
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Tboil | 461.18 | K | Relay (1.0) Calculated Property |
| Tc | 625.05 | K | Relay (1.0) Calculated Property |
| Tfus | 234.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.50; 358.78] | J/mol×K | [448.75; 622.49] |
|
| Cp,gas | 286.50 | J/mol×K | 448.75 | Joback Calculated Property |
| Cp,gas | 299.93 | J/mol×K | 477.71 | Joback Calculated Property |
| Cp,gas | 312.79 | J/mol×K | 506.66 | Joback Calculated Property |
| Cp,gas | 325.09 | J/mol×K | 535.62 | Joback Calculated Property |
| Cp,gas | 336.84 | J/mol×K | 564.58 | Joback Calculated Property |
| Cp,gas | 348.07 | J/mol×K | 593.54 | Joback Calculated Property |
| Cp,gas | 358.78 | J/mol×K | 622.49 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-(diethylamino)-.
Sources
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