- InChI
- InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)
- InChI Key
- ZSBDPRIWBYHIAF-UHFFFAOYSA-N
- Formula
- C4H7NO2
- SMILES
- CC(=O)NC(C)=O
- Molecular Weight1
- 101.10
- Other Names
-
- Bisacetylamine
- CH3C(O)NHC(O)CH3
- Diacetylamine
- Dicetylamine
- N-Acetylacetamide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.4896 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2087.52 | kJ/mol | NIST |
| ΔfG° | -185.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -500.80 | kJ/mol | NIST |
| ΔfusH° | 14.41 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [73.20; 73.20] | kJ/mol |
|
| ΔsubH° | 73.20 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 73.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 50.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.331 | Crippen Calculated Property | |
| McVol | 80.340 | ml/mol | McGowan Calculated Property |
| Pc | 4672.09 | kPa | Joback Calculated Property |
| Tboil | 496.70 | K | NIST |
| Tc | 660.38 | K | Relay (1.0) Calculated Property |
| Tfus | 352.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.304 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [59.70; 64.60] | kJ/mol | [419.50; 432.00] |
|
| ΔvapH | 64.60 | kJ/mol | 419.50 | NIST |
| ΔvapH | 59.70 | kJ/mol | 432.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.37; 240.62] | 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 | 1.27600e+01 | |||
| Coefficient B | 4.04040e-01 | |||
| Coefficient C | -2.05000e-04 | |||
| Coefficient D | 2.88200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 131.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 151.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 170.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 186.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 201.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 213.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 224.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 233.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 240.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 98.49] | kPa | [343.00; 496.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61812e+01 | |||
| Coefficient B | -4.89531e+03 | |||
| Coefficient C | -7.36710e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 343.00 | |||
| Temperature range, max. | 496.00 | |||
| Pvap | 0.14 | kPa | 343.00 | Calculated Property |
| Pvap | 0.40 | kPa | 360.00 | Calculated Property |
| Pvap | 1.04 | kPa | 377.00 | Calculated Property |
| Pvap | 2.46 | kPa | 394.00 | Calculated Property |
| Pvap | 5.31 | kPa | 411.00 | Calculated Property |
| Pvap | 10.65 | kPa | 428.00 | Calculated Property |
| Pvap | 20.04 | kPa | 445.00 | Calculated Property |
| Pvap | 35.70 | kPa | 462.00 | Calculated Property |
| Pvap | 60.57 | kPa | 479.00 | Calculated Property |
| Pvap | 98.49 | kPa | 496.00 | Calculated Property |
Similar Compounds
Find more compounds similar to ACETAMIDE, N-ACETYL-.
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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