- InChI
- InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
- InChI Key
- OSPRTYTUQJCKFF-UHFFFAOYSA-N
- Formula
- C10H9NO
- SMILES
- N#CCCC(=O)c1ccccc1
- Molecular Weight1
- 159.18
- CAS
- 5343-98-6
- 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 standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -5149.96 ± 0.46 | kJ/mol | NIST |
| ΔfG° | 149.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.00 ± 0.46 | kJ/mol | NIST |
| ΔfH°solid | -71.46 ± 0.46 | kJ/mol | NIST |
| ΔfusH° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 102.00 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 57.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.173 | Crippen Calculated Property | |
| McVol | 130.950 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Tboil | 610.83 | K | Joback Calculated Property |
| Tc | 841.68 | K | Joback Calculated Property |
| Tfus | 343.80 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.43; 357.11] | J/mol×K | [610.83; 841.68] | 
|
| Cp,gas | 301.43 | J/mol×K | 610.83 | Joback Calculated Property |
| Cp,gas | 312.59 | J/mol×K | 649.31 | Joback Calculated Property |
| Cp,gas | 322.94 | J/mol×K | 687.78 | Joback Calculated Property |
| Cp,gas | 332.53 | J/mol×K | 726.26 | Joback Calculated Property |
| Cp,gas | 341.40 | J/mol×K | 764.73 | Joback Calculated Property |
| Cp,gas | 349.58 | J/mol×K | 803.21 | Joback Calculated Property |
| Cp,gas | 357.11 | J/mol×K | 841.68 | Joback Calculated Property |
| ΔsubH | 108.50 | kJ/mol | 325.50 | NIST |
Similar Compounds
Find more compounds similar to «beta»-Cyanopropiophenone.
Sources
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