- InChI
- InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H2,10,11)/b8-7+
- InChI Key
- PRCOWBGHTCNVDZ-BQYQJAHWSA-N
- Formula
- C9H17NO
- SMILES
- CCCCCC/C=C/C(N)=O
- Molecular Weight1
- 155.24
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.6414 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.998 | Crippen Calculated Property | |
| McVol | 144.920 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Tboil | 514.10 | K | Relay (1.0) Calculated Property |
| Tc | 715.57 | K | Relay (1.0) Calculated Property |
| Tfus | 286.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 111.90 | kJ/mol | 388.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.70; 478.06] | 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 | -5.62500e+00 | |||
| Coefficient B | 9.12720e-01 | |||
| Coefficient C | -5.74300e-04 | |||
| Coefficient D | 1.45260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 251.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 294.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 332.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 394.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 460.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 478.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to trans 2-Nonenoic acid amide.
Sources
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