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124-38-9 molecular structure
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methanedione

ChemBase ID: 126406
Molecular Formular: CO2
Molecular Mass: 44.0095
Monoisotopic Mass: 43.98982924
SMILES and InChIs

SMILES:
O=C=O
Canonical SMILES:
O=C=O
InChI:
InChI=1S/CO2/c2-1-3
InChIKey:
CURLTUGMZLYLDI-UHFFFAOYSA-N

Cite this record

CBID:126406 http://www.chembase.cn/molecule-126406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanedione
IUPAC Traditional name
carbon dioxide
Synonyms
Carbon dioxide
Carbonic acid gas
Carbonic anhydride
Carbonic oxide
Carbon oxide
Carbon(IV) oxide
Dry ice (solid phase)
Carbon dioxide
Carbon dioxide solid
Dry ice
Carbon dioxide (99.8%)
二氧化碳
固态二氧化碳
干冰
二氧化碳 (99.8%)
CAS Number
124-38-9
EC Number
204-696-9
MDL Number
MFCD00011491
Beilstein Number
1900390
PubChem SID
162220740
24854016
24857758
PubChem CID
280
CHEBI ID
16526
ATC CODE
V03AN02
CHEMBL
1231871
Chemspider ID
274
Gmelin ID
989
KEGG ID
D00004
MeSH Name
Carbon+dioxide
Unique Ingredient Identifier
142M471B3J
Wikipedia Title
Carbon_dioxide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2789571  LogD (pH = 7.4) -0.2789571 
Log P -0.2789571  Molar Refractivity 6.3844 cm3
Polarizability 2.6601136 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1.45 g/L at 25 °C, 100 kPa in water expand Show data source
Apperance
Colorless gas expand Show data source
plates expand Show data source
Melting Point
-78.45°C (194.7K) (''subl.'') expand Show data source
-78.5 °C(lit.) expand Show data source
Boiling Point
-56.55°C (216.6K) (at 5.185 bar) expand Show data source
Density
1562 kg/m3 (solid at 1 atm and -78.5 °C)
770 kg/m3 (liquid at 56 atm and 20 °C)
1.977 kg/m3 (gas at 1 atm and 0 °C)
expand Show data source
Refractive Index
1.1120 expand Show data source
Vapor Pressure
56.5 atm ( 20 °C) expand Show data source
Vapor Density
1.52 (vs air) expand Show data source
pKa
6.35, 10.33 expand Show data source
Dipole Moment
zero expand Show data source
Viscosity
0.07 cP at -78.5 °C expand Show data source
Odor
Odorless expand Show data source
Std enthalpy of formation
-393.5 kJ·mol-1 expand Show data source
Std molar entropy
214 J·mol-1·K-1 expand Show data source
RTECS
FF6400000 expand Show data source
UN Number
1013 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
German water hazard class
- expand Show data source
nwg expand Show data source
Hazard Class
2.2 expand Show data source
Safety Statements
9 expand Show data source
GHS Pictograms
GHS04 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
0
2
0
expand Show data source
GHS Hazard statements
H280 expand Show data source
GHS Precautionary statements
P410 + P403 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 1013 2.2 expand Show data source
Storage Temperature
-70°C expand Show data source
Purity
≥99.8% expand Show data source
99.8% expand Show data source
Grade
analytical standard expand Show data source
Packaging
cylinder of 14 L expand Show data source
cylinder of 48 L expand Show data source
Shipped in
dry ice expand Show data source
Empirical Formula (Hill Notation)
CO2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 295108 external link
Packaging
227 g in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.
Sigma Aldrich - 93508 external link
Other Notes
Sales restrictions may apply
Sigma Aldrich - 23402 external link
General description
Specifications:Contents: 14 liters Pressure: 240 psig Outlet fitting: CGA-160-1/8 inch, NPT F Weight: 1.5 lb.Dimensions: 3 x 11 inches D.O.T. specifications: 4B240

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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