- InChI
- InChI=1S/C8H17NO/c1-6(2)5-9-8(10)7(3)4/h6-7H,5H2,1-4H3,(H,9,10)
- InChI Key
- MYLSYPDLABZVDQ-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CC(C)CNC(=O)C(C)C
- Molecular Weight1
- 143.23
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.4984 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.415 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | 1140.00 | NIST | |
| Tboil | 459.96 | K | Relay (1.0) Calculated Property |
| Tc | 634.16 | K | Relay (1.0) Calculated Property |
| Tfus | 271.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.58; 375.50] | J/mol×K | [485.60; 672.00] | 
|
| Cp,gas | 302.58 | J/mol×K | 485.60 | Joback Calculated Property |
| Cp,gas | 316.21 | J/mol×K | 516.67 | Joback Calculated Property |
| Cp,gas | 329.23 | J/mol×K | 547.73 | Joback Calculated Property |
| Cp,gas | 341.66 | J/mol×K | 578.80 | Joback Calculated Property |
| Cp,gas | 353.50 | J/mol×K | 609.87 | Joback Calculated Property |
| Cp,gas | 364.78 | J/mol×K | 640.93 | Joback Calculated Property |
| Cp,gas | 375.50 | J/mol×K | 672.00 | Joback Calculated Property |
Similar Compounds
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Sources
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