Dodecanoic acid,2-octyl- supplier

Name
2-octyldodecanoic acid
EINECS 254-992-7
CAS No. 40596-46-1
Article Data7
CAS DataBase
Density 0.883 g/cm³
Solubility
Melting Point
Formula C₂₀H₄₀O₂
Boiling Point 429.4 °C at 760 mmHg
Molecular Weight 312.536
Flash Point 243 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Octyldodecanoicacid;C20 Guerbet fatty acid;Isocarb 20;
PSA 37.30000
LogP 6.96860

Dodecanoic acid,2-octyl- Specification

The CAS register number of Dodecanoic acid,2-octyl- is 40596-46-1. The systematic name about this chemical is 2-octyldodecanoic acid. The molecular formula about this chemical is C₂₀H₄₀O₂ and the molecular weight is 312.5364.

Physical properties about Dodecanoic acid,2-octyl- are: (1)ACD/LogP: 9.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.33; (4)ACD/LogD (pH 7.4): 6.53; (5)ACD/BCF (pH 5.5): 818897.38; (6)ACD/BCF (pH 7.4): 13232.7; (7)ACD/KOC (pH 5.5): 359515.38; (8)ACD/KOC (pH 7.4): 5809.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 96.22 cm³; (15)Molar Volume: 353.6 cm³; (16)Polarizability: 38.14x10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.883 g/cm³; (19)Flash Point: 243 °C; (20)Enthalpy of Vaporization: 75.09 kJ/mol; (21)Boiling Point: 429.4 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CCCCCCCCCC)CCCCCCCC
(2)InChI: InChI=1/C20H40O2/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
(3)InChIKey: KUIYXYIWGVFQPD-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C20H40O2/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,21,22)
(5)Std. InChIKey: KUIYXYIWGVFQPD-UHFFFAOYSA-N

Product Name

2-octyldodecanoic acid

Dodecanoic acid,2-octyl- Specification

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