3-Cyclopentylacrylonitrile supplier

Name
3-CYCLOPENTYLACRYLONITRILE
EINECS 1592732-453-0
CAS No. 591769-05-0
Article Data7
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point
Formula C₈H₁₁N
Boiling Point 209 °C at 760 mmHg
Molecular Weight 121.182
Flash Point 79.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclopentylacrylonitrile;3-cyclopentylprop-2-enenitrile;
PSA 23.79000
LogP 2.25638

3-Cyclopentylacrylonitrile Specification

The 3-Cyclopentylacrylonitrile, with the cas registry number 591769-05-0, has the systematic name of 3-cyclopentylprop-2-enenitrile. And the molecular formula of the chemical is C₈H₁₁N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 28.02; (6)ACD/BCF (pH 7.4): 28.02; (7)ACD/KOC (pH 5.5): 378.23; (8)ACD/KOC (pH 7.4): 378.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 38.71 cm³; (15)Molar Volume: 117.9 cm³; (16)Polarizability: 15.34×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 79.9 °C; (20)Enthalpy of Vaporization: 44.53 kJ/mol; (21)Boiling Point: 209 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#C\C=C\C1CCCC1
(2)InChI: InChI=1/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
(3)InChIKey: VMELXYJYSXXORF-ZZXKWVIFBD

Product Name

3-CYCLOPENTYLACRYLONITRILE

3-Cyclopentylacrylonitrile Specification

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