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CAS No.: | 52204-65-6 |
---|---|
Name: | 4-Propylcyclohexanol |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C9H18O |
Molecular Weight: | 142.241 |
Synonyms: | 4-Propyl-1-cyclohexanol; |
Density: | 0.903 g/cm3 |
Boiling Point: | 201.9 °C at 760 mmHg |
Flash Point: | 80.2 °C |
PSA: | 20.23000 |
LogP: | 2.33760 |
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The CAS register number of 4-Propylcyclohexanol is 52204-65-6. It also can be called as Cyclohexanol, 4-propyl- and the systematic name about this chemical is 4-propylcyclohexanol. The molecular formula about this chemical is C9H18O and the molecular weight is 142.24. It belongs to the following product categories which include Phenyls & Phenyl-Het; Phenyls & Phenyl-Het and so on.
Physical properties about 4-Propylcyclohexanol are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.45; (5)ACD/BCF (pH 7.4): 93.45; (6)ACD/KOC (pH 5.5): 895.7; (7)ACD/KOC (pH 7.4): 895.7; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 43.22 cm3; (14)Molar Volume: 157.5 cm3; (15)Polarizability: 17.13x10-24cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Flash Point: 80.2 °C; (18)Enthalpy of Vaporization: 50.97 kJ/mol; (19)Boiling Point: 201.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0737 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(CCC)CC1
(2)InChI: InChI=1/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3
(3)InChIKey: YVPZFPKENDZQEJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3
(5)Std. InChIKey: YVPZFPKENDZQEJ-UHFFFAOYSA-N