- InChI
- InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
- InChI Key
- IPWFJLQDVFKJDU-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CCCCC(N)=O
- Molecular Weight1
- 101.15
- Other Names
-
- n-valeramide
- pentanimidic acid
- valeramide
- 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).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.5492 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3160.10 ± 1.00 | kJ/mol | NIST |
| ΔfG° | -71.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | [17.90; 75.90] | kJ/mol |
|
| ΔfusH° | 75.90 | kJ/mol | Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide |
| ΔfusH° | 17.90 | kJ/mol | Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry |
| ΔsubH° | 89.30 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 49.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.662 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | [918.00; 918.00] |
|
|
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Ip | 2006.00 | NIST | |
| Tboil | 439.68 | K | Relay (1.0) Calculated Property |
| Tc | 636.89 | K | Relay (1.0) Calculated Property |
| Tfus | [377.65; 379.00] | K |
|
| Tfus | 377.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 379.00 ± 0.60 | K | NIST |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.90 | kJ/mol | 377.20 | NIST |
| ΔsubH | [89.10; 89.30] | kJ/mol | [353.50; 363.00] |
|
| ΔsubH | 89.30 ± 0.40 | kJ/mol | 353.50 | NIST |
| ΔsubH | 89.30 ± 0.40 | kJ/mol | 353.50 | NIST |
| ΔsubH | 89.10 | kJ/mol | 363.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.85; 302.27] | 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 | 1.21930e+01 | |||
| Coefficient B | 5.12720e-01 | |||
| Coefficient C | -2.72900e-04 | |||
| Coefficient D | 5.02600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 161.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 210.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 249.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 265.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 302.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide.
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
- 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
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