1-Heptanol,2,4-diethyl- supplier

Name
2,4-diethylheptan-1-ol
EINECS 279-417-7
CAS No. 80192-55-8
Density 0.826 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₄O
Boiling Point 223 °C at 760 mmHg
Molecular Weight 172.311
Flash Point 100.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Diethylheptan-1-ol;2,4-Diethyl-1-heptanol;
PSA 20.23000
LogP 3.22130

1-Heptanol,2,4-diethyl- Specification

This chemical is called 1-Heptanol,2,4-diethyl-, and it can also be named as 2,4-Diethylheptan-1-ol . With the molecular formula of C₁₁H₂₄O, its molecular weight is 172.30766. The CAS registry number of this chemical is 80192-55-8. Its EINECS number is 279-417-7.

Other characteristics of the 1-Heptanol,2,4-diethyl- can be summarised as follows: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 960.12; (6)ACD/BCF (pH 7.4): 960.12; (7)ACD/KOC (pH 5.5): 4746.24; (8)ACD/KOC (pH 7.4): 4746.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 54.46 cm³; (15)Molar Volume: 208.3 cm³; (16)Polarizability: 21.59×10^-24 cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.826 g/cm³; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 53.43 kJ/mol; (21)Boiling Point: 223 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OCC(CC)CC(CCC)CC
2.InChI: InChI=1/C11H24O/c1-4-7-10(5-2)8-11(6-3)9-12/h10-12H,4-9H2,1-3H3
3.InChIKey: MPSSVYBWYAOYHH-UHFFFAOYAO

Product Name

2,4-diethylheptan-1-ol

1-Heptanol,2,4-diethyl- Specification

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