- InChI
- InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3
- InChI Key
- ZNQFZPCFVNOXJQ-UHFFFAOYSA-N
- Formula
- C5H9NO2
- SMILES
- CC(=O)N(C)C(C)=O
- Molecular Weight1
- 115.13
- Other Names
-
- Acetamide, N-acetyl-N-methyl-
- Diacetamide, N-methyl-
- N,N-Diacetylmethylamine
- N-Methyl-N-acetylacetamide
- N-acetyl-N-methylacetamide
- 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 | 0.4450 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.011 | Crippen Calculated Property | |
| McVol | 94.430 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 466.00 ± 1.00 | K | NIST |
| Tc | 643.88 | K | Relay (1.0) Calculated Property |
| Tfus | 248.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.91; 293.35] | 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 | 2.37000e+00 | |||
| Coefficient B | 5.46760e-01 | |||
| Coefficient C | -3.23400e-04 | |||
| Coefficient D | 6.76200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 158.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 227.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 245.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 293.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-Methyldiacetamide.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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