- InChI
- InChI=1S/C9H19NO/c1-4-5-6-9(11)10-7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
- InChI Key
- LTGAVKFWROZLPO-UHFFFAOYSA-N
- Formula
- C9H19NO
- SMILES
- CCCCC(=O)NCC(C)C
- Molecular Weight1
- 157.25
- 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 | 0.5682 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.949 | Crippen Calculated Property | |
| McVol | 149.220 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 1281.00 | NIST | |
| Tboil | 478.52 | K | Relay (1.0) Calculated Property |
| Tc | 665.89 | K | Relay (1.0) Calculated Property |
| Tfus | 256.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.35; 423.26] | J/mol×K | [508.92; 689.58] | 
|
| Cp,gas | 347.35 | J/mol×K | 508.92 | Joback Calculated Property |
| Cp,gas | 361.50 | J/mol×K | 539.03 | Joback Calculated Property |
| Cp,gas | 375.03 | J/mol×K | 569.14 | Joback Calculated Property |
| Cp,gas | 387.95 | J/mol×K | 599.25 | Joback Calculated Property |
| Cp,gas | 400.29 | J/mol×K | 629.36 | Joback Calculated Property |
| Cp,gas | 412.05 | J/mol×K | 659.47 | Joback Calculated Property |
| Cp,gas | 423.26 | J/mol×K | 689.58 | Joback Calculated Property |
Similar Compounds
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Sources
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