Butanedioic acid,2-dodecyl- supplier

Name
DODECYLSUCCINIC ACID
EINECS 207-254-3
CAS No. 455-95-8
Article Data6
CAS DataBase
Density 1.014 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₀O₄
Boiling Point 400.9 °C at 760 mmHg
Molecular Weight 286.412
Flash Point 210.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanedioicacid, dodecyl- (9CI);Succinic acid, dodecyl- (6CI,7CI,8CI);1,2-Tetradecanedicarboxylic acid;Dodecylsuccinic acid;Pentadecanoic acid,3-carboxy-;
PSA 74.60000
LogP 4.47290

Butanedioic acid,2-dodecyl- Specification

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

Product Name

DODECYLSUCCINIC ACID

Butanedioic acid,2-dodecyl- Specification

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