Products Categories
CAS No.: | 13004-06-3 |
---|---|
Name: | trans-4-tert-butylcyclohexylmethanol |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C11H22O |
Molecular Weight: | 170.295 |
Synonyms: | Cis-4-tert-butylcyclohexylmethanol; |
EINECS: | 235-843-5 |
Density: | 0.89 g/cm3 |
Boiling Point: | 227.5 °C at 760 mmHg |
Flash Point: | 97.8 °C |
PSA: | 20.23000 |
LogP: | 2.83120 |
What can I do for you?
Get Best Price
The Cyclohexanemethanol,4-(1,1-dimethylethyl)-, trans-, with the CAS registry number of 13004-06-3, is also known as Cis-4-tert-butylcyclohexylmethanol. Its EINECS registry number is 235-843-5. Its molecular formula is C11H22O and molecular weight is 170.29178. What's more, its IUPAC name is (4-tert-Butylcyclohexyl)methanol.
Physical properties about the Cyclohexanemethanol,4-(1,1-dimethylethyl)-, trans- are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 316.4; (6)ACD/BCF (pH 7.4): 316.4; (7)ACD/KOC (pH 5.5): 2144.25; (8)ACD/KOC (pH 7.4): 2144.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 52.09 cm3; (15)Molar Volume: 191.2 cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.89 g/cm3; (18)Flash Point: 97.8 °C; (19)Enthalpy of Vaporization: 53.95 kJ/mol; (20)Boiling Point: 227.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0151 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CCC(C(C)(C)C)CC1
(2) InChI: InChI=1/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
(3) InChIKey: GGWBQKOXLMPNMS-UHFFFAOYAY