- InChI
- InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3
- InChI Key
- GRGNJBKJCVOFEO-UHFFFAOYSA-N
- Formula
- C9H19NO
- SMILES
- CCN(CC)CCCC(C)=O
- Molecular Weight1
- 157.25
- CAS
- 105-14-6
- Other Names
-
- Novol ketone
- 5-(Diethylamino)-2-pentanone
- 5-(N,N-Diethylamino)pentan-2-one
- DF 493
- 1-(Diethylamino)-4-pentanone
- Novalketone
- 5-Diethylaminopentane-2-one
- 5-diethylaminopentan-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).
- 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 | 0.5033 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.697 | Crippen Calculated Property | |
| McVol | 149.220 | ml/mol | McGowan Calculated Property |
| Pc | 2448.32 | kPa | Joback Calculated Property |
| Tboil | 478.93 | K | Relay (1.0) Calculated Property |
| Tc | 650.63 | K | Relay (1.0) Calculated Property |
| Tfus | 235.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.84; 510.70] | 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 | -8.62500e+00 | |||
| Coefficient B | 9.54760e-01 | |||
| Coefficient C | -5.59700e-04 | |||
| Coefficient D | 1.24260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 264.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 310.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 419.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 447.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 492.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.70 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 5-(diethylamino)-.
Sources
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