- InChI
- InChI=1S/C11H12N2O/c1-10(14)13(9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7H,5,9H2,1H3
- InChI Key
- XPTMZUGVSAGQME-UHFFFAOYSA-N
- Formula
- C11H12N2O
- SMILES
- CC(=O)N(CCC#N)c1ccccc1
- Molecular Weight1
- 188.23
- CAS
- 104086-54-6
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 269.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 85.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.953 | Crippen Calculated Property | |
| McVol | 155.020 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Tboil | 646.15 | K | Joback Calculated Property |
| Tc | 869.10 | K | Joback Calculated Property |
| Tfus | 387.54 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.14; 447.00] | J/mol×K | [646.15; 869.10] | 
|
| Cp,gas | 385.14 | J/mol×K | 646.15 | Joback Calculated Property |
| Cp,gas | 397.52 | J/mol×K | 683.31 | Joback Calculated Property |
| Cp,gas | 409.01 | J/mol×K | 720.47 | Joback Calculated Property |
| Cp,gas | 419.65 | J/mol×K | 757.62 | Joback Calculated Property |
| Cp,gas | 429.50 | J/mol×K | 794.78 | Joback Calculated Property |
| Cp,gas | 438.59 | J/mol×K | 831.94 | Joback Calculated Property |
| Cp,gas | 447.00 | J/mol×K | 869.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, n-beta-cyanoethyl-.
Sources
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