Basic information
- Name:
1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-
- CAS No.:
4462-95-7
- Molecular Structure:
- Formula:
- C18H16O4
- Molecular Weight:
- 296.31724
- Synonyms:
- Truxillicacid (6CI);
- EINECS:
- 224-724-3
- Density:
- 1.323 g/cm3
- Boiling Point:
- 470.5 °C at 760 mmHg
- Flash Point:
- 252.4 °C
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Specification
The 1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-, with the CAS registry number 4462-95-7, is also known as 2,4-Diphenylcyclobutane-1,3-dicarboxylic acid. Its EINECS registry number is 224-724-3. This chemical's molecular formula is C18H16O4 and molecular weight is 296.104859. Its IUPAC name is called 2,4-diphenylcyclobutane-1,3-dicarboxylic acid.
Physical properties of 1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-: (1)ACD/LogP: 3.57; (2)ACD/BCF (pH 5.5): 1.25; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.6; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 79.54 cm3; (11)Molar Volume: 223.8 cm3; (12)Surface Tension: 60.6 dyne/cm; (13)Density: 1.323 g/cm3; (14)Flash Point: 252.4 °C; (15)Enthalpy of Vaporization: 77.22 kJ/mol; (16)Boiling Point: 470.5 °C at 760 mmHg; (17)Vapour Pressure: 1.18E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2C(C(C2C(=O)O)C3=CC=CC=C3)C(=O)O
(2)InChI: InChI=1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)
(3)InChIKey: QWFRRFLKWRIKSZ-UHFFFAOYSA-N
