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| CAS No.: | 84-64-0 |
|---|---|
| Name: | BUTYL CYCLOHEXYL PHTHALATE |
| Molecular Structure: | |
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| Formula: | C18H24O4 |
| Molecular Weight: | 304.386 |
| Synonyms: | 1,2-Benzenedicarboxylicacid, butyl cyclohexyl ester (9CI);Phthalic acid, butyl cyclohexyl ester(6CI,7CI,8CI);Butyl cyclohexyl phthalate;Cyclohexyl butyl phthalate;Elastex50B;NSC 69994;1-O-Butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate;1,2-Benzenedicarboxylic acid, 1-butyl 2-cyclohexyl ester;Phthalic acid, butyl cyclohexyl ester (8CI); |
| EINECS: | 201-548-5 |
| Density: | 1.1 g/cm3 |
| Melting Point: | < 25 °C |
| Boiling Point: | 385.8 °C at 760 mmHg |
| Flash Point: | 184.4 °C |
| Appearance: | brown liquid |
| PSA: | 52.60000 |
| LogP: | 4.13300 |
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Specification
The 1,2-Benzenedicarboxylicacid, 1-butyl 2-cyclohexyl ester, with the CAS registry number 84-64-0, is also known as Butyl cyclohexyl benzene-1,2-dicarboxylate. Its EINECS number is 201-548-5. This chemical's molecular formula is C18H24O4 and molecular weight is 304.38. What's more, its IUPAC name is 1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate.
Physical properties of 1,2-Benzenedicarboxylicacid, 1-butyl 2-cyclohexyl ester are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6182.52; (6)ACD/BCF (pH 7.4): 6182.52; (7)ACD/KOC (pH 5.5): 18001.46; (8)ACD/KOC (pH 7.4): 18001.46; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 83.96 cm3; (15)Molar Volume: 274.4 cm3; (16)Polarizability: 33.28×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 385.8 °C at 760 mmHg; (22)Vapour Pressure: 3.7E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2
(2)InChI: InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3
(3)InChIKey: BHKLONWXRPJNAE-UHFFFAOYSA-N