- InChI
- InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
- InChI Key
- QJQAMHYHNCADNR-UHFFFAOYSA-N
- Formula
- C4H9NO
- SMILES
- CCC(=O)NC
- Molecular Weight1
- 87.12
- CAS
- 1187-58-2
- Other Names
-
- N-Methylpropanamide
- N-Methylpropionamide
- N-Methylpropionic acid amide
- N-Methylpropionsaureamid
- Propionamide, N-methyl-
- 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).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 920.40 | kJ/mol | NIST |
| BasG | [864.00; 889.40] | kJ/mol |
|
| BasG | 889.40 | kJ/mol | NIST |
| BasG | 864.00 ± 5.00 | kJ/mol | NIST |
| ΔcH°liquid | -2539.70 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -56.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.00 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -320.10 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [64.90; 66.90] | kJ/mol |
|
| ΔvapH° | 66.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 66.90 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 64.90 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.46 | Crippen Calculated Property | |
| logPoct/wat | 0.142 | Crippen Calculated Property | |
| McVol | 78.770 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Inp | [897.00; 921.00] |
|
|
| Inp | 921.00 | NIST | |
| Inp | 897.00 | NIST | |
| I | [1645.00; 1690.00] |
|
|
| I | 1645.00 | NIST | |
| I | 1690.00 | NIST | |
| Tboil | 394.96 | K | Joback Calculated Property |
| Tc | 579.58 | K | Joback Calculated Property |
| Tfus | 237.43 | K | Joback Calculated Property |
| Vc | 0.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.48; 188.03] | J/mol×K | [394.96; 579.58] |
|
| Cp,gas | 143.48 | J/mol×K | 394.96 | Joback Calculated Property |
| Cp,gas | 151.71 | J/mol×K | 425.73 | Joback Calculated Property |
| Cp,gas | 159.61 | J/mol×K | 456.50 | Joback Calculated Property |
| Cp,gas | 167.19 | J/mol×K | 487.27 | Joback Calculated Property |
| Cp,gas | 174.45 | J/mol×K | 518.04 | Joback Calculated Property |
| Cp,gas | 181.39 | J/mol×K | 548.81 | Joback Calculated Property |
| Cp,gas | 188.03 | J/mol×K | 579.58 | Joback Calculated Property |
| Cp,liquid | 179.00 | J/mol×K | 298.15 | NIST |
| ΔvapH | [54.20; 64.00] | kJ/mol | [333.00; 430.50] |
|
| ΔvapH | 54.40 | kJ/mol | 333.00 | NIST |
| ΔvapH | 64.00 ± 0.20 | kJ/mol | 339.00 | NIST |
| ΔvapH | 54.20 | kJ/mol | 387.50 | NIST |
| ΔvapH | 64.00 ± 0.30 | kJ/mol | 420.50 | NIST |
| ΔvapH | 56.60 ± 0.20 | kJ/mol | 430.50 | NIST |
| ΔvapH | 63.90 ± 0.20 | kJ/mol | 430.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.20 | K | 12.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.03; 202.67] | kPa | [354.25; 461.42] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 9.49285e+00 | |||
| Coefficient B | -8.02697e+02 | |||
| Coefficient C | -2.69445e+02 | |||
| Temperature range, min. | 354.25 | |||
| Temperature range, max. | 461.42 | |||
| Pvap | 1.03 | kPa | 354.25 | Calculated Property |
| Pvap | 3.30 | kPa | 366.16 | Calculated Property |
| Pvap | 8.19 | kPa | 378.07 | Calculated Property |
| Pvap | 17.00 | kPa | 389.97 | Calculated Property |
| Pvap | 30.93 | kPa | 401.88 | Calculated Property |
| Pvap | 51.00 | kPa | 413.79 | Calculated Property |
| Pvap | 77.92 | kPa | 425.70 | Calculated Property |
| Pvap | 112.10 | kPa | 437.60 | Calculated Property |
| Pvap | 153.71 | kPa | 449.51 | Calculated Property |
| Pvap | 202.67 | kPa | 461.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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