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EINECS 238-369-7
CAS No. 14402-50-7 Density 0.839 g/cm3
PSA 38.80000 LogP 4.83550
Solubility N/A Melting Point -17°C
Formula C12H26S Boiling Point 270.3 °C at 760 mmHg
Molecular Weight 202.404 Flash Point 101 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14402-50-7 (dodecane-2-thiol) Hazard Symbols N/A


Article Data 7

2-Dodecanethiol Specification

The 2-Dodecanethiol, with the CAS registry number 14402-50-7, has EINECS registry number 238-369-7. This chemical's molecular formula is C12H26S and molecular weight is 202.39984. Its systematic name is called dodecane-2-thiol.

Physical properties of 2-Dodecanethiol: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 6.38; (5)ACD/BCF (pH 5.5): 41391.61; (6)ACD/BCF (pH 7.4): 41368.44; (7)ACD/KOC (pH 5.5): 70204.97; (8)ACD/KOC (pH 7.4): 70165.66; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.455; (11)Molar Refractivity: 65.49 cm3; (12)Molar Volume: 241 cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.839 g/cm3; (15)Flash Point: 101 °C; (16)Enthalpy of Vaporization: 48.8 kJ/mol; (17)Boiling Point: 270.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(2)InChI: InChI=1/C12H26S/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3

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