- InChI
- InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
- InChI Key
- WFKAJVHLWXSISD-UHFFFAOYSA-N
- Formula
- C4H9NO
- SMILES
- CC(C)C(N)=O
- Molecular Weight1
- 87.12
- CAS
- 563-83-7
- Other Names
-
- 2-methylpropanamide
- 2-methylpropionamide
- C-isopropylformamide
- isobutyramide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- ΔsubS : Entropy of sublimation at a given temperature (J/mol×K).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4714 | Relay (1.0) Calculated Property | |
| PAff | 878.60 | kJ/mol | NIST |
| BasG | [846.70; 851.00] | kJ/mol |
|
| BasG | 846.70 | kJ/mol | NIST |
| BasG | 850.00 ± 6.00 | kJ/mol | NIST |
| BasG | 851.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -2491.70 ± 0.60 | kJ/mol | NIST |
| ΔfH°gas | -282.60 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | -368.60 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 19.20 | kJ/mol | Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry |
| ΔsubH° | [86.00; 86.00] | kJ/mol |
|
| ΔsubH° | 86.00 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 86.00 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 43.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.128 | Crippen Calculated Property | |
| McVol | 78.770 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Inp | [923.00; 923.00] |
|
|
| Inp | 923.00 | NIST | |
| Inp | 923.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tc | 598.01 | K | Relay (1.0) Calculated Property |
| Tfus | 401.60 | K | Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide |
| Vc | 0.303 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 148.10 | J/mol×K | 298.15 | NIST |
| ΔfusH | 19.20 | kJ/mol | 400.10 | NIST |
| ΔsubH | [86.00; 86.10] | kJ/mol | [293.50; 298.15] |
|
| ΔsubH | 86.10 ± 0.20 | kJ/mol | 293.50 | NIST |
| ΔsubH | 86.00 | kJ/mol | 298.15 | NIST |
| ΔsubS | 288.40 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.32; 251.22] | 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 | 1.14200e+01 | |||
| Coefficient B | 4.23640e-01 | |||
| Coefficient C | -2.21700e-04 | |||
| Coefficient D | 3.78600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 135.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 156.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 176.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 193.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 208.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 221.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 233.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 242.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 251.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
- Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.