- InChI
- InChI=1S/C11H15NO/c1-3-9-12(2)11(13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
- InChI Key
- AEYBXFRYLBPSBB-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCCN(C)C(=O)c1ccccc1
- Molecular Weight1
- 177.24
- 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.
- Ip : 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 | 0.5234 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.169 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Inp | [1524.32; 1566.62] |
|
|
| Inp | 1524.32 | NIST | |
| Inp | 1544.25 | NIST | |
| Inp | 1546.53 | NIST | |
| Inp | 1566.62 | NIST | |
| Inp | 1524.32 | NIST | |
| Ip | [2456.51; 2496.44] |
|
|
| Ip | 2456.51 | NIST | |
| Ip | 2456.51 | NIST | |
| Ip | 2476.34 | NIST | |
| Ip | 2496.44 | NIST | |
| Tboil | 553.91 | K | Relay (1.0) Calculated Property |
| Tc | 741.71 | K | Relay (1.0) Calculated Property |
| Tfus | 265.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.01; 495.35] | 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 | -4.43480e+01 | |||
| Coefficient B | 1.06584e+00 | |||
| Coefficient C | -6.99700e-04 | |||
| Coefficient D | 1.73560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 252.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 459.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 478.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-Propyl-N-methyl-benzamide.
Sources
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