- InChI
- InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
- InChI Key
- SANOUVWGPVYVAV-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CC(C)CC(N)=O
- Molecular Weight1
- 101.15
- CAS
- 541-46-8
- Other Names
-
- Isovaleramide
- «beta»-Methylbutyramide
- Isovaleric amide
- 3-Methylbutyramide
- 3-Methylbutanamide
- 3-Methylbutaneamide
- Isopentanamide
- 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).
- 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).
- I : 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 | 0.5100 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3149.70 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -73.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -390.00 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 11.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.518 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| I | [1857.00; 1903.00] |
|
|
| I | 1857.00 | NIST | |
| I | 1903.00 | NIST | |
| I | 1857.00 | NIST | |
| I | 1903.00 | NIST | |
| Tboil | 406.42 | K | Relay (1.0) Calculated Property |
| Tc | 614.37 | K | Relay (1.0) Calculated Property |
| Tfus | 251.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.43; 241.88] | J/mol×K | [439.76; 637.73] |
|
| Cp,gas | 189.43 | J/mol×K | 439.76 | Joback Calculated Property |
| Cp,gas | 199.25 | J/mol×K | 472.75 | Joback Calculated Property |
| Cp,gas | 208.63 | J/mol×K | 505.75 | Joback Calculated Property |
| Cp,gas | 217.57 | J/mol×K | 538.74 | Joback Calculated Property |
| Cp,gas | 226.08 | J/mol×K | 571.74 | Joback Calculated Property |
| Cp,gas | 234.18 | J/mol×K | 604.73 | Joback Calculated Property |
| Cp,gas | 241.88 | J/mol×K | 637.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, 3-methyl-.
Sources
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