CAS No.76025-60-0,4-Pentylphenyl-4'-trans-propylcyclohexylcarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76025-60-0
Name:	4-Pentylphenyl-4'-trans-propylcyclohexylcarboxylate

Formula:	C₂₁H₃₂O₂
Molecular Weight:	315.46964
Synonyms:	4-Pentylphenyl trans-4-propylcyclohexanecarboxylate;
Density:	0.97 g/cm³
Boiling Point:	416.8 °C at 760 mmHg
Flash Point:	135.4 °C
PSA:	26.30000
LogP:	5.93120

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Specification

The CAS register number of 4-Pentylphenyl trans-4-propylcyclohexanecarboxylate is 76025-60-0. It also can be called as Cyclohexanecarboxylicacid, 4-propyl-, 4-pentylphenyl ester, trans- and the systematic name about this chemical is 4-pentylphenyl trans-4-propylcyclohexanecarboxylate. The molecular formula about this chemical is C₂₁H₃₂O₂and the molecular weight is 316.48.

Physical properties about 4-Pentylphenyl trans-4-propylcyclohexanecarboxylate are: (1)ACD/LogP: 7.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.76; (4)ACD/LogD (pH 7.4): 7.76; (5)ACD/BCF (pH 5.5): 461182.41; (6)ACD/BCF (pH 7.4): 461182.41; (7)ACD/KOC (pH 5.5): 394250.5; (8)ACD/KOC (pH 7.4): 394250.5; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 95.89 cm³; (14)Molar Volume: 326 cm³; (15)Polarizability: 38.01x10^-24cm³; (16)Surface Tension: 35.3 dyne/cm; (17)Enthalpy of Vaporization: 67.01 kJ/mol; (18)Boiling Point: 416.8 °C at 760 mmHg; (19)Vapour Pressure: 3.73E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@@H]1CC[C@H](CC1)C(=O)Oc2ccc(CCCCC)cc2
(2)InChI: InChI=1/C21H32O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3/t17-,19-
(3)InChIKey: ASFHPAUFWGSVGY-UAPYVXQJBR
(4)Std. InChI: InChI=1S/C21H32O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3/t17-,19-
(5)Std. InChIKey: ASFHPAUFWGSVGY-UAPYVXQJSA-N