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CAS No.: | 73204-07-6 |
---|---|
Name: | Benzonitrile,4-(4-oxocyclohexyl)- |
Article Data: | 4 |
Cas Database | |
Molecular Structure: | |
Formula: | C13H13 N O |
Molecular Weight: | 199.252 |
Synonyms: | 4-(p-Cyanophenyl)cyclohexanone |
EINECS: | N/A |
Density: | 1.12g/cm3 |
Melting Point: | N/A |
Boiling Point: | 367.3°C at 760 mmHg |
Flash Point: | 176°C |
Solubility: | N/A |
Appearance: | N/A |
Hazard Symbols: | N/A |
Risk Codes: | N/A |
Safety: | |
Transport Information: | N/A |
PSA: | 40.86000 |
LogP: | 2.78498 |
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Systematic Name: 4-(4-Oxocyclohexyl)benzonitrile
Empirical Formula: C13H13NO
Molecular Weight: 199.2484
Nominal Mass: 199
Average Mass: 199.2484
Monoisotopic Mass: 199.099714
SMILES: c1cc(ccc1C#N)C2CCC(=O)CC2
InChI: InChI=1/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2
InChIKey: XFRVACCGEKPJDI-UHFFFAOYAW
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.557
Molar Refractivity: 57.15 cm3
Molar Volume: 177.3 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.12 g/cm3
Flash Point: 176 °C
Enthalpy of Vaporization: 61.39 kJ/mol
Boiling Point: 367.3 °C at 760 mmHg
Vapour Pressure of 4-(4-Oxocyclohexyl)benzonitrile (CAS NO.73204-07-6): 1.38E-05 mmHg at 25 °C
4-(4-Oxocyclohexyl)benzonitrile (CAS NO.73204-07-6), its Synonyms are 4-(4-Cyanophenyl) cyclohexanone ; 4-(4-Oxocyclohexyl)-benzonitrile ; Benzonitrile, 4-(4-oxocyclohexyl)- .