4-(4-Propylcyclohexyl)benzonitrile supplier

Name
4-(4-Propylcyclohexyl)benzonitrile
EINECS 262-654-5
CAS No. 313552-83-9
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₁N
Boiling Point 351.8 °C at 760 mmHg
Molecular Weight 227.349
Flash Point 167.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Propylcyclohexyl)benzonitrile;4-(4-n-Propylcyclohexyl)benzonitrile, 97%
PSA 23.79000
LogP 4.63218

4-(4-Propylcyclohexyl)benzonitrile Specification

The CAS registry number of Benzonitrile,4-(4-propylcyclohexyl)- is 313552-83-9. This chemical's molecular formula is C₁₆H₂₁N and molecular weight is 227.34. What's more, its systematic name is called 4-(4-Propylcyclohexyl)benzonitrile.

Physical properties about Benzonitrile,4-(4-propylcyclohexyl)- are: (1)ACD/LogP: 5.73; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13315.1; (6)ACD/BCF (pH 7.4): 13315.1; (7)ACD/KOC (pH 5.5): 31174.07; (8)ACD/KOC (pH 7.4): 31174.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 70.9 cm³; (15)Molar Volume: 229.9 cm³; (16)Polarizability: 28.1×10^-24 cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 59.66 kJ/mol; (21)Boiling Point: 351.8 °C at 760 mmHg; (22)Vapour Pressure: 4E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1)C2CCC(CCC)CC2
(2) InChI: InChI=1/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
(3) InChIKey: XXUSEPRYHRDKFV-UHFFFAOYAU

Product Name

4-(4-Propylcyclohexyl)benzonitrile

4-(4-Propylcyclohexyl)benzonitrile Specification

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