- InChI
- InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
- InChI Key
- AJFDBNQQDYLMJN-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CCN(CC)C(C)=O
- Molecular Weight1
- 115.17
- CAS
- 685-91-6
- Other Names
-
- CH3CON(C2H5)2
- N,N-Diethylacetamide
- N,N-diethylethanamide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| PAff | 925.40 | kJ/mol | NIST |
| BasG | 894.40 | kJ/mol | NIST |
| ΔcH°liquid | -3883.60 ± 3.20 | kJ/mol | NIST |
| ΔfG° | -18.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.20 | kJ/mol | NIST |
| ΔfH°liquid | -335.40 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 53.70 | kJ/mol | Enthalp... |
| ΔvapH° | 48.20 | kJ/mol | NIST |
| IE | 8.60 ± 0.02 | eV | NIST |
| log10WS | -0.68 | Crippen Calculated Property | |
| logPoct/wat | 0.875 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Inp | [966.00; 985.00] |
|
|
| Inp | 985.00 | NIST | |
| Inp | 966.00 | NIST | |
| I | 1595.00 | NIST | |
| Tboil | 457.20 | K | NIST |
| Tc | 578.97 | K | Joback Calculated Property |
| Tfus | 239.78 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.41; 266.15] | J/mol×K | [402.99; 578.97] |
|
| Cp,gas | 205.41 | J/mol×K | 402.99 | Joback Calculated Property |
| Cp,gas | 216.70 | J/mol×K | 432.32 | Joback Calculated Property |
| Cp,gas | 227.51 | J/mol×K | 461.65 | Joback Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 490.98 | Joback Calculated Property |
| Cp,gas | 247.72 | J/mol×K | 520.31 | Joback Calculated Property |
| Cp,gas | 257.15 | J/mol×K | 549.64 | Joback Calculated Property |
| Cp,gas | 266.15 | J/mol×K | 578.97 | Joback Calculated Property |
| Pvap | [0.05; 0.81] | kPa | [293.20; 333.10] |
|
| Pvap | 0.05 | kPa | 293.20 | Vapour ... |
| Pvap | 0.06 | kPa | 295.70 | Vapour ... |
| Pvap | 0.08 | kPa | 298.10 | Vapour ... |
| Pvap | 0.10 | kPa | 300.70 | Vapour ... |
| Pvap | 0.11 | kPa | 303.30 | Vapour ... |
| Pvap | 0.16 | kPa | 308.20 | Vapour ... |
| Pvap | 0.18 | kPa | 310.60 | Vapour ... |
| Pvap | 0.22 | kPa | 313.20 | Vapour ... |
| Pvap | 0.31 | kPa | 318.20 | Vapour ... |
| Pvap | 0.42 | kPa | 323.30 | Vapour ... |
| Pvap | 0.50 | kPa | 325.70 | Vapour ... |
| Pvap | 0.59 | kPa | 328.20 | Vapour ... |
| Pvap | 0.68 | kPa | 330.70 | Vapour ... |
| Pvap | 0.81 | kPa | 333.10 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [347.92; 483.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56855e+01 | |||
| Coefficient B | -4.30011e+03 | |||
| Coefficient C | -6.86550e+01 | |||
| Temperature range, min. | 347.92 | |||
| Temperature range, max. | 483.16 | |||
| Pvap | 1.33 | kPa | 347.92 | Calculated Property |
| Pvap | 2.93 | kPa | 362.95 | Calculated Property |
| Pvap | 5.95 | kPa | 377.97 | Calculated Property |
| Pvap | 11.33 | kPa | 393.00 | Calculated Property |
| Pvap | 20.38 | kPa | 408.03 | Calculated Property |
| Pvap | 34.88 | kPa | 423.05 | Calculated Property |
| Pvap | 57.14 | kPa | 438.08 | Calculated Property |
| Pvap | 90.06 | kPa | 453.11 | Calculated Property |
| Pvap | 137.17 | kPa | 468.13 | Calculated Property |
| Pvap | 202.65 | kPa | 483.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N,N-diethyl-.
Sources
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporisation of N,N-di-alkylacetamides
- Enthalpies of vaporization of N,N-dialkyl monamides at 298.15K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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