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2-hexylbutane-1,4-diol

2-hexylbutane-1,4-diol structure

CAS No:
18755-31-2
Formula:
C10H22O2
Chemical Name:
2-hexylbutane-1,4-diol
Synonyms:
1,4-Butanediol,2-hexyl; 1,4-Butanediol, 2-hexyl-; 2-hexyl-butane-1,4-diol; 2-hexyl-1,4-butanediol; 3-hydroxymethyl-1-nonanol; 2-Pentyl-butan-1,4-diol;Expand

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2-hexylbutane-1,4-diol Basic Attributes

Molecular Weight：

174.28000

Exact Mass：

174.161979940 g/mol

Characteristics

PSA：

40.46000

XLogP3：

1.94770

Density：

0.922g/cm3

Boiling Point：

277.6ºC at 760mmHg

Flash Point：

124.4ºC

Refractive Index：

1.456

Vapor Pressure：

0.000551mmHg at 25°C

Computed Properties

Molecular Weight:174.28
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:174.161979940
Monoisotopic Mass:174.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:83.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-hexylbutane-1,4-diol

Basic Attributes
Characteristics
Computed Properties

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