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CAS No.: | 455-95-8 |
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Name: | DODECYLSUCCINIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C16H30O4 |
Molecular Weight: | 286.412 |
Synonyms: | Butanedioicacid, dodecyl- (9CI);Succinic acid, dodecyl- (6CI,7CI,8CI);1,2-Tetradecanedicarboxylic acid;Dodecylsuccinic acid;Pentadecanoic acid,3-carboxy-; |
EINECS: | 207-254-3 |
Density: | 1.014 g/cm3 |
Boiling Point: | 400.9 °C at 760 mmHg |
Flash Point: | 210.4 °C |
PSA: | 74.60000 |
LogP: | 4.47290 |
The CAS register number of Butanedioic acid,2-dodecyl- is 455-95-8. It also can be called as 1,2-Tetradecanedicarboxylic acid and the IUPAC name about this chemical is 2-dodecylbutanedioic acid. The molecular formula about this chemical is C16H30O4 and the molecular weight is 286.41.
Physical properties about Butanedioic acid,2-dodecyl- are: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 307.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 766.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 79.26 cm3; (15)Molar Volume: 282.2 cm3; (16)Polarizability: 31.42x10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 210.4 °C; (20)Enthalpy of Vaporization: 71.54 kJ/mol; (21)Boiling Point: 400.9 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C(=O)O)CCCCCCCCCCCC
(2)InChI: InChI=1/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)
(3)InChIKey: YLAXZGYLWOGCBF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h14H,2-13H2,1H3,(H,17,18)(H,19,20)
(5)Std. InChIKey: YLAXZGYLWOGCBF-UHFFFAOYSA-N