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111-84-2 molecular structure
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nonane

ChemBase ID: 107944
Molecular Formular: C9H20
Molecular Mass: 128.2551
Monoisotopic Mass: 128.15650064
SMILES and InChIs

SMILES:
CCCCCCCCC
Canonical SMILES:
CCCCCCCCC
InChI:
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
InChIKey:
BKIMMITUMNQMOS-UHFFFAOYSA-N

Cite this record

CBID:107944 http://www.chembase.cn/molecule-107944.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonane
IUPAC Traditional name
nonane
Synonyms
n-Nonane
n-Nonane
Nonane Fraction
n-NONANE
Nonane
Nonane
正壬烷
壬烷分馏物
正壬烷
壬烷
CAS Number
111-84-2
EC Number
203-913-4
MDL Number
MFCD00009574
Beilstein Number
1696917
PubChem SID
24886667
162088812
24897606
24867964
24886665
24857881
PubChem CID
8141
CHEBI ID
32892
CHEMBL
335900
Chemspider ID
7849
Gmelin ID
240576
MeSH Name
nonane
Wikipedia Title
Nonane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4648438  LogD (pH = 7.4) 4.4648438 
Log P 4.4648438  Molar Refractivity 43.2112 cm3
Polarizability 17.36981 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Colorless liquid expand Show data source
Melting Point
-53 °C(lit.) expand Show data source
-53.5°C expand Show data source
-53°C expand Show data source
-54.15 - -53.15°C (219 - 220 K) expand Show data source
Boiling Point
148-156 °C expand Show data source
150.35 - 150.95°C (423.5 - 424.1 K) expand Show data source
150-152°C expand Show data source
151 °C(lit.) expand Show data source
151°C expand Show data source
Flash Point
31 °C expand Show data source
31.0 °C expand Show data source
31°C(87°F) expand Show data source
87.8 °F expand Show data source
Auto Ignition Point
205.0 °C expand Show data source
401 °F expand Show data source
Density
0.714 g/ml expand Show data source
0.718 expand Show data source
0.718 g/mL at 25 °C(lit.) expand Show data source
0.72 g/mL at 20 °C expand Show data source
718 mg mL-1 expand Show data source
Refractive Index
1.405 expand Show data source
1.4054 expand Show data source
n20/D 1.405 expand Show data source
n20/D 1.405(lit.) expand Show data source
n20/D 1.407 expand Show data source
Vapor Pressure
0.18 psi ( 37.7 °C) expand Show data source
1.33 kPa (at 20.0 °C) expand Show data source
Vapor Density
4.41 (vs air) expand Show data source
Partition Coefficient
5.293 expand Show data source
Henry Constant
1.7 nmol Pa-1 kg-1 expand Show data source
Odor
Gasoline-like expand Show data source
Heat Capacity
284.34 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-6125.75–-6124.67 kJ mol-1 expand Show data source
Std enthalpy of formation
-275.7–-273.7 kJ mol-1 expand Show data source
Std molar entropy
393.67 J K-1 mol-1 expand Show data source
RTECS
RA6115000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1920 expand Show data source
UN1920 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
10-20-36-53-65-67 expand Show data source
10-20-65-66 expand Show data source
R:10-18-36/37/38 expand Show data source
R10, R20, R53, R65, R67 expand Show data source
Safety Statements
23-36-62 expand Show data source
26-62 expand Show data source
S:9-16-25-26-29 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS health hazard expand Show data source
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
Warning expand Show data source
Explode Limits
0.87–2.9% expand Show data source
2.9 % expand Show data source
GHS Hazard statements
226, 304, 315, 319, 332, 336 expand Show data source
H226 expand Show data source
H226-H304-H315-H319-H332-H336 expand Show data source
H304-H226-H332 expand Show data source
GHS Precautionary statements
261, 301+310, 305+351+338, 331 expand Show data source
P261-P280F-P301+P310-P315 expand Show data source
P261-P301 + P310-P305 + P351 + P338-P331 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1920 3/PG 3 expand Show data source
Purity
≥95.0% (GC) expand Show data source
≥99% expand Show data source
≥99% (GC) expand Show data source
≥99.0% (GC) expand Show data source
≥99.8% (GC) expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
anhydrous expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Evaporation Residue
<0.0003% expand Show data source
Impurities
<0.005% water expand Show data source
isoparaffin expand Show data source
naphthene expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)7CH3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - N29406 external link
Packaging
1 L in glass bottle
100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 296821 external link
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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