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96155-68-9

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Basic Information
CAS No.: 96155-68-9
Name: 4-Propylphenyl 4'-trans-butylcyclohexylbenzoate
Molecular Structure:
Molecular Structure of 96155-68-9 (4-Propylphenyl 4'-trans-butylcyclohexylbenzoate)
Formula: C26H34O2
Molecular Weight: 378.555
Synonyms: Benzoicacid, 4-(4-butylcyclohexyl)-, 4-propylphenyl ester, trans-;4-Propylphenyl 4'-trans-butylcyclohexylbenzoate;trans-4-(4-Butylcyclohexyl)benzoic acid 4-propylphenyl ester;
Density: 1.012 g/cm3
Boiling Point: 503.1 °C at 760 mmHg
Flash Point: 212.9 °C
PSA: 26.30000
LogP: 7.32230
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Specification

The CAS register number of 4-Propylphenyl 4'-trans-butylcyclohexylbenzoate is 96155-68-9. It also can be called as trans-4-(4-Butylcyclohexyl)benzoic acid 4-propylphenyl ester and the systematic name about this chemical is 4-propylphenyl 4-(4-butylcyclohexyl)benzoate. The molecular formula about this chemical is C26H34O2 and molecular weight is 378.55.

Physical properties about 4-Propylphenyl 4'-trans-butylcyclohexylbenzoate are: (1)ACD/LogP: 9.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.72; (4)ACD/LogD (pH 7.4): 9.72; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4612102.5; (8)ACD/KOC (pH 7.4): 4612102.5; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 116.53 cm3; (14)Molar Volume: 373.9 cm3; (15)Polarizability: 46.19x10-24cm3; (16)Surface Tension: 38.4 dyne/cm; (17)Enthalpy of Vaporization: 77.23 kJ/mol; (18)Boiling Point: 503.1 °C at 760 mmHg; (19)Vapour Pressure: 3E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)OC(=O)c2ccc(cc2)C3CCC(CCCC)CC3
(2)InChI: InChI=1/C26H34O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h10-11,14-19,21-22H,3-9,12-13H2,1-2H3
(3)InChIKey: SDVNCRWWXQQQNG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C26H34O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h10-11,14-19,21-22H,3-9,12-13H2,1-2H3
(5)Std. InChIKey: SDVNCRWWXQQQNG-UHFFFAOYSA-N