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| CAS No.: | 79912-98-4 |
|---|---|
| Name: | 4-Fluoro-Phenyl-4'-Trans-PentylcyclohexylBenzoate |
| Molecular Structure: | |
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| Formula: | C24H29FO2 |
| Molecular Weight: | 367.4763232 |
| Synonyms: | Benzoicacid, 4-(4-pentylcyclohexyl)-, 4-fluorophenyl ester, trans-; |
| Density: | 1.067g/cm3 |
| Boiling Point: | 479.194 °C at 760 mmHg |
| Flash Point: | 234.834 °C |
| PSA: | 26.30000 |
| LogP: | 6.89900 |
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Specification
The 4-Fluorophenyl 4-trans-(4-pentylcyclohexyl)benzoate with cas registry number of 79912-98-4, has the systematic name of (4-fluorophenyl) 4-(4-pentylcyclohexyl)benzoate. And it is also named 4-Fluorophenyl 4-trans-(4-pentylcyclohexyl)benzoate. The usage of this chemical: intermediates of liquid crystals.
Physical properties about this chemical are: (1)ACD/LogP: 8.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.25; (4)ACD/LogD (pH 7.4): 8.25; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 733152.5; (8)ACD/KOC (pH 7.4): 733152.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 106.978 cm3; (15)Molar Volume: 345.357 cm3; (16)Polarizability: 42.41×10-24cm3; (17)Surface Tension: 38.744 dyne/cm; (18)Enthalpy of Vaporization: 74.345 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)F;
(2)InChI: InChI=1/C24H29FO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h10-19H,2-9H2,1H3/t18-,19-;
(3)InChIKey: OXCUPNWUHRJSMT-WGSAOQKQBL;
(4)Std. InChI: InChI=1S/C24H29FO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h10-19H,2-9H2,1H3/t18-,19-;
(5)Std. InChIKey: OXCUPNWUHRJSMT-WGSAOQKQSA-N