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74-86-2 molecular structure
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acetylene

ChemBase ID: 125610
Molecular Formular: C2H2
Molecular Mass: 26.03728
Monoisotopic Mass: 26.01565006
SMILES and InChIs

SMILES:
C#C
Canonical SMILES:
C#C
InChI:
InChI=1S/C2H2/c1-2/h1-2H
InChIKey:
HSFWRNGVRCDJHI-UHFFFAOYSA-N

Cite this record

CBID:125610 http://www.chembase.cn/molecule-125610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
acetylene
IUPAC Systematic name
Ethyne
IUPAC Traditional name
dicarbon
Synonyms
Acetylene
CAS Number
74-86-2
PubChem SID
162219960
PubChem CID
6326
CHEBI ID
27518
CHEMBL
116336
Chemspider ID
6086
KEGG ID
C01548
Unique Ingredient Identifier
OC7TV75O83
Wikipedia Title
Acetylene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.15384704  LogD (pH = 7.4) 0.15384704 
Log P 0.15384704  Molar Refractivity 8.566 cm3
Polarizability 3.3301132 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
-80.8 °C, 192.4 K, -113.4 °F (Triple point at 1.27 atm) expand Show data source
Boiling Point
-84°C (Sublimation point at 1 atm) expand Show data source
Density
1.097 kg m-3 expand Show data source
pKa
25 expand Show data source
Std enthalpy of formation
+226.88 kJ/mol expand Show data source
Std molar entropy
201 J·mol-1·K-1 expand Show data source
UN Number
1001 (dissolved)
3138 (in mixture with ethylene and propylene)
expand Show data source
NFPA704
NFPA 704 diagram
4
1
3
expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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