- InChI
- InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
- InChI Key
- LSBDFXRDZJMBSC-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- NC(=O)Cc1ccccc1
- Molecular Weight1
- 135.16
- CAS
- 103-81-1
- Other Names
-
- Acetamide, 2-phenyl-
- «alpha»-Phenylacetamide
- «alpha»-Toluamide
- Phenyl-«beta»-acetylamine
- Phenylacetic acid amide
- 2-Phenylacetamide
- Phenylacetamide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- I : 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 | 0.5459 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4224.33; -4210.40] | kJ/mol |
|
| ΔcH°solid | -4210.40 ± 3.80 | kJ/mol | NIST |
| ΔcH°solid | -4224.33 | kJ/mol | NIST |
| ΔfG° | 66.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-224.00; -209.70] | kJ/mol |
|
| ΔfH°solid | -224.00 ± 3.80 | kJ/mol | NIST |
| ΔfH°solid | -209.70 | kJ/mol | NIST |
| ΔfusH° | 17.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.714 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Inp | [1393.00; 1411.90] |
|
|
| Inp | 1411.90 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1411.90 | NIST | |
| I | [2650.00; 2660.00] |
|
|
| I | 2650.00 | NIST | |
| I | 2650.00 | NIST | |
| I | 2660.00 | NIST | |
| I | 2660.00 | NIST | |
| Tboil | 518.57 | K | Relay (1.0) Calculated Property |
| Tc | 760.18 | K | Relay (1.0) Calculated Property |
| Tfus | 338.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.60; 302.51] | J/mol×K | [535.52; 768.22] |
|
| Cp,gas | 243.60 | J/mol×K | 535.52 | Joback Calculated Property |
| Cp,gas | 255.36 | J/mol×K | 574.30 | Joback Calculated Property |
| Cp,gas | 266.29 | J/mol×K | 613.09 | Joback Calculated Property |
| Cp,gas | 276.43 | J/mol×K | 651.87 | Joback Calculated Property |
| Cp,gas | 285.82 | J/mol×K | 690.65 | Joback Calculated Property |
| Cp,gas | 294.50 | J/mol×K | 729.44 | Joback Calculated Property |
| Cp,gas | 302.51 | J/mol×K | 768.22 | Joback Calculated Property |
| ΔsubH | 96.40 | kJ/mol | 340.50 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetamide.
Sources
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