- InChI
- InChI=1S/C11H15NO/c1-2-3-9-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
- InChI Key
- PGMBORLSOHYBFJ-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCCCC(=O)Nc1ccccc1
- Molecular Weight1
- 177.24
- CAS
- 10264-18-3
- Other Names
-
- Valeranilide
- 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 | 0.5974 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.815 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 547.63 | K | Relay (1.0) Calculated Property |
| Tc | 788.50 | K | Relay (1.0) Calculated Property |
| Tfus | 323.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.18; 445.98] | J/mol×K | [581.80; 793.35] |
|
| Cp,gas | 371.18 | J/mol×K | 581.80 | Joback Calculated Property |
| Cp,gas | 385.78 | J/mol×K | 617.06 | Joback Calculated Property |
| Cp,gas | 399.48 | J/mol×K | 652.32 | Joback Calculated Property |
| Cp,gas | 412.31 | J/mol×K | 687.58 | Joback Calculated Property |
| Cp,gas | 424.31 | J/mol×K | 722.84 | Joback Calculated Property |
| Cp,gas | 435.52 | J/mol×K | 758.09 | Joback Calculated Property |
| Cp,gas | 445.98 | J/mol×K | 793.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-phenyl-.
Sources
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