- InChI
- InChI=1S/C13H13NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)14-10(2)15/h3-8H,1-2H3,(H,14,15)
- InChI Key
- SGRWRTKJEQTSCK-UHFFFAOYSA-N
- Formula
- C13H13NO
- SMILES
- CC(=O)Nc1c(C)ccc2ccccc12
- Molecular Weight1
- 199.25
- 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).
- 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 | 0.5878 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.107 | Crippen Calculated Property | |
| McVol | 162.360 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 614.84 | K | Relay (1.0) Calculated Property |
| Tc | 897.77 | K | Relay (1.0) Calculated Property |
| Tfus | 370.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.584 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.22; 500.53] | 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 | -3.95300e+01 | |||
| Coefficient B | 1.08544e+00 | |||
| Coefficient C | -7.47140e-04 | |||
| Coefficient D | 2.01760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 349.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 384.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 415.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 464.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 483.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 500.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Acetamido-2-methyl-naphthalene.
Sources
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