Molecular Structure of 4-Cyanophenyl trans-4-(4-propylcyclohexyl)benzoate (CAS NO.81930-17-8):
IUPAC Name: (4-Cyanophenyl) 4-(4-propylcyclohexyl)benzoate
Molecular Formula: C23H25NO2
Molecular Weight: 347.45
EINECS: 279-853-8
XLogP3-AA: 6.9
H-Bond Donor: 0
H-Bond Acceptor: 3
Index of Refraction: 1.577
Molar Refractivity: 102.1 cm3
Molar Volume: 308 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.12 g/cm3
Flash Point: 256.5 °C
Enthalpy of Vaporization: 77.89 kJ/mol
Boiling Point: 508.5 °C at 760 mmHg
Vapour Pressure: 1.84E-10 mmHg at 25 °C
Canonical SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N
InChI: InChI=1S/C23H25NO2/c1-2-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)23(25)26-22-14-6-18(16-24)7-15-22/h6-7,10-15,17,19H,2-5,8-9H2,1H3
InChIKey: OOACYHPBBJELLX-UHFFFAOYSA-N
4-Cyanophenyl trans-4-(4-propylcyclohexyl)benzoate (CAS NO.81930-17-8) is used as an intermediates of liquid crystals.
4-Cyanophenyl trans-4-(4-propylcyclohexyl)benzoate (CAS NO.81930-17-8), its Synonyms are Benzoic acid, 4-(4-propylcyclohexyl)-, 4-cyanophenyl ester, trans- ; p-Cyanophenyl trans-p-(4-propylcyclohexyl)benzoate ; trans-4-(4-Propylcyclohexyl)benzoic acid 4-cyanophenyl ester .
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