- InChI
- InChI=1S/C8H17NO/c1-5-6-7(10)9-8(2,3)4/h5-6H2,1-4H3,(H,9,10)
- InChI Key
- CABJJNMRUWQXNR-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CCCC(=O)NC(C)(C)C
- Molecular Weight1
- 143.23
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -20.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.701 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | 1048.00 | NIST | |
| Tboil | 483.25 | K | Joback Calculated Property |
| Tc | 672.91 | K | Joback Calculated Property |
| Tfus | 284.93 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.10; 378.73] | J/mol×K | [483.25; 672.91] | 
|
| Cp,gas | 305.10 | J/mol×K | 483.25 | Joback Calculated Property |
| Cp,gas | 319.12 | J/mol×K | 514.86 | Joback Calculated Property |
| Cp,gas | 332.41 | J/mol×K | 546.47 | Joback Calculated Property |
| Cp,gas | 344.98 | J/mol×K | 578.08 | Joback Calculated Property |
| Cp,gas | 356.87 | J/mol×K | 609.69 | Joback Calculated Property |
| Cp,gas | 368.11 | J/mol×K | 641.30 | Joback Calculated Property |
| Cp,gas | 378.73 | J/mol×K | 672.91 | Joback Calculated Property |
Similar Compounds
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Sources
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