- InChI
- InChI=1S/C14H20N2O3/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(11-12)16(18)19/h7-9,11H,2-6,10H2,1H3,(H,15,17)
- InChI Key
- VADNAHSWKRFMHD-UHFFFAOYSA-N
- Formula
- C14H20N2O3
- SMILES
-
CCCCCCCC(=O)Nc1cccc([N+](=O)[O
-])c1 - Molecular Weight1
- 264.32
- 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 | 0.8704 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.894 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Inp | [2408.00; 2408.00] |
|
|
| Inp | 2408.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Tboil | 611.48 | K | Relay (1.0) Calculated Property |
| Tc | 895.42 | K | Relay (1.0) Calculated Property |
| Tfus | 349.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.56; 699.62] | J/mol×K | [807.26; 1030.28] |
|
| Cp,gas | 631.56 | J/mol×K | 807.26 | Joback Calculated Property |
| Cp,gas | 645.22 | J/mol×K | 844.43 | Joback Calculated Property |
| Cp,gas | 657.88 | J/mol×K | 881.60 | Joback Calculated Property |
| Cp,gas | 669.59 | J/mol×K | 918.77 | Joback Calculated Property |
| Cp,gas | 680.42 | J/mol×K | 955.94 | Joback Calculated Property |
| Cp,gas | 690.41 | J/mol×K | 993.11 | Joback Calculated Property |
| Cp,gas | 699.62 | J/mol×K | 1030.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanamide, N-(3-nitrophenyl)-.
Sources
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