- InChI
- InChI=1S/C11H14N2O3/c1-2-3-7-11(14)12-9-5-4-6-10(8-9)13(15)16/h4-6,8H,2-3,7H2,1H3,(H,12,14)
- InChI Key
- UYUWKCAOJYPGIZ-UHFFFAOYSA-N
- Formula
- C11H14N2O3
- SMILES
-
CCCCC(=O)Nc1cccc([N+](=O)[O-])
c1 - Molecular Weight1
- 222.24
- 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).
- 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 | 0.7476 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.724 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 2073.00 | NIST | |
| Tboil | 587.56 | K | Relay (1.0) Calculated Property |
| Tc | 863.83 | K | Relay (1.0) Calculated Property |
| Tfus | 360.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.40; 532.01] | J/mol×K | [738.62; 972.33] | 
|
| Cp,gas | 470.40 | J/mol×K | 738.62 | Joback Calculated Property |
| Cp,gas | 482.91 | J/mol×K | 777.57 | Joback Calculated Property |
| Cp,gas | 494.45 | J/mol×K | 816.52 | Joback Calculated Property |
| Cp,gas | 505.08 | J/mol×K | 855.48 | Joback Calculated Property |
| Cp,gas | 514.85 | J/mol×K | 894.43 | Joback Calculated Property |
| Cp,gas | 523.81 | J/mol×K | 933.38 | Joback Calculated Property |
| Cp,gas | 532.01 | J/mol×K | 972.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(3-nitrophenyl)-.
Sources
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