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CAS No.: | 61203-94-9 |
---|---|
Name: | Trans-4-Propylcyclohexyl-Benzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H22 |
Molecular Weight: | 202.34 |
Synonyms: | Benzene,(4-propylcyclohexyl)-, trans-;(trans-4-n-Propylcyclohexyl)benzene;trans-(4-Propylcyclohexyl)benzene;trans-1-Phenyl-4-propylcyclohexane;4-n-propyl cyclohexyl benzene; |
Density: | 0.9g/cm3 |
Boiling Point: | 289.9 °C at 760 mmHg |
Flash Point: | 123.6 °C |
PSA: | 0.00000 |
LogP: | 4.76050 |
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The Benzene,(trans-4-propylcyclohexyl)-, with CAS registry number 61203-94-9, has the systematic name of (4-propylcyclohexyl)benzene. Besides this, it is also called Trans-4-Propylcyclohexyl-Benzene. And the chemical formula of this chemical is C15H22.
Physical properties of Benzene,(trans-4-propylcyclohexyl)-: (1)ACD/LogP: 6.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.29; (4)ACD/LogD (pH 7.4): 6.29; (5)ACD/BCF (pH 5.5): 35683.69; (6)ACD/BCF (pH 7.4): 35683.69; (7)ACD/KOC (pH 5.5): 63130.82; (8)ACD/KOC (pH 7.4): 63130.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 66.07 cm3; (15)Molar Volume: 224.7 cm3; (16)Polarizability: 26.19×10-24cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.9 g/cm3; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 50.8 kJ/mol; (21)Boiling Point: 289.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00373 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccccc2
(2)InChI: InChI=1/C15H22/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t13-,15-
(3)InChIKey: PWGUTKLGUISGAE-CTYIDZIIBY
(4)Std. InChI: InChI=1S/C15H22/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t13-,15-
(5)Std. InChIKey: PWGUTKLGUISGAE-CTYIDZIISA-N