Basic Information | Post buying leads | Suppliers |
Name |
4-Pentylphenyl trans-4-propylcyclohexanecarboxylate |
EINECS | N/A |
CAS No. | 76025-60-0 | Density | 0.97 g/cm3 |
PSA | 26.30000 | LogP | 5.93120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H32O2 | Boiling Point | 416.8 °C at 760 mmHg |
Molecular Weight | 315.46964 | Flash Point | 135.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Pentylphenyl trans-4-propylcyclohexanecarboxylate; |
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 C21H32O2 and 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