- 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
- 157.26
- 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° | 58.64 | 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 | 670.71 | K | Relay (1.0) Calculated Property |
| Tfus | 251.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.20; 510.09] | 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 | -8.26000e-01 | |||
| Coefficient B | 9.12960e-01 | |||
| Coefficient C | -4.98900e-04 | |||
| Coefficient D | 9.68600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 264.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 309.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 446.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 492.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.09 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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Sources
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