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CAS No.: | 2450-31-9 |
---|---|
Name: | Tetracosanedioic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C24H46O4 |
Molecular Weight: | 398.627 |
Synonyms: | 1,22-Docosanedicarboxylicacid;1,24-Tetracosanedioic acid;Tetracosan-1,24-dioic acid; |
Density: | 0.962 g/cm3 |
Melting Point: | 126.9-127.1 °C |
Boiling Point: | 549.4 °C at 760 mmHg |
Flash Point: | 300.1 °C |
PSA: | 74.60000 |
LogP: | 7.73780 |
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The CAS register number of Tetracosanedioic acid is 2450-31-9. It also can be called as 1,24-Tetracosanedioic acid. The molecular formula about this chemical is C24H46O4 and the molecular weight is 398.61964.
Physical properties about Tetracosanedioic acid are: (1)ACD/LogP: 9.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.71; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 176401.16; (6)ACD/BCF (pH 7.4): 167.2; (7)ACD/KOC (pH 5.5): 69909.59; (8)ACD/KOC (pH 7.4): 66.26; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 116.36 cm3; (15)Molar Volume: 413.9 cm3; (16)Polarizability: 46.13x10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 0.962 g/cm3; (19)Flash Point: 300.1 °C; (20)Enthalpy of Vaporization: 90.67 kJ/mol; (21)Boiling Point: 549.4 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-13 mmHg at 25 °C.
Uses of Tetracosanedioic acid: it can be used to produce tetracosanedioic acid dimethyl ester with methanol. This reaction will need reagent of conc. H2SO4. This reaction needs heating. The reaction time is 12 hours. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
(3)InChIKey: QXGVRGZJILVMDF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
(5)Std. InChIKey: QXGVRGZJILVMDF-UHFFFAOYSA-N