- InChI
- InChI=1S/C13H19NO/c1-3-5-6-11-7-9-12(10-8-11)13(15)14-4-2/h7-10H,3-6H2,1-2H3,(H,14,15)
- InChI Key
- SPYVNAMDBZUQPV-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CCCCc1ccc(C(=O)NCC)cc1
- Molecular Weight1
- 205.30
- 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 | 0.6652 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.779 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | [1887.00; 1887.00] |
|
|
| Inp | 1887.00 | NIST | |
| Inp | 1887.00 | NIST | |
| Tboil | 583.83 | K | Relay (1.0) Calculated Property |
| Tc | 794.99 | K | Relay (1.0) Calculated Property |
| Tfus | 288.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.66; 594.35] | 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 | -2.23860e+01 | |||
| Coefficient B | 1.14864e+00 | |||
| Coefficient C | -6.77460e-04 | |||
| Coefficient D | 1.45560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 243.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 305.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 360.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 409.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 452.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 489.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 522.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 550.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 574.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 594.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-ethyl-.
Sources
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