- InChI
- InChI=1S/C16H25NO/c1-4-5-11-17(13-14(2)3)16(18)12-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3
- InChI Key
- MDCSFNVSHFYXME-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCN(CC(C)C)C(=O)Cc1ccccc1
- Molecular Weight1
- 247.38
- 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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 589.18 | K | Relay (1.0) Calculated Property |
| Tc | 788.34 | K | Relay (1.0) Calculated Property |
| Tfus | 279.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.76; 753.84] | 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 | -5.05750e+01 | |||
| Coefficient B | 1.54676e+00 | |||
| Coefficient C | -9.74900e-04 | |||
| Coefficient D | 2.32560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 384.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 456.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 519.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 574.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 621.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 662.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 698.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 728.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 753.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-isobutyl-.
Sources
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