Dodecane

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Dodecane
Skeletal formula of dodecane
Skeletal formula of dodecane with all implicit carbons shown, and all explicit hydrogens added
Ball and stick model of dodecane
Identifiers
CAS number 112-40-3 YesY
PubChem 8182
ChemSpider 7890 YesY
UNII 11A386X1QH YesY
EC number 203-967-9
DrugBank DB02771
KEGG C08374 YesY
MeSH n-dodecane
ChEBI CHEBI:28817 YesY
ChEMBL CHEMBL30959 YesY
RTECS number JR2125000
Beilstein Reference 1697175
Gmelin Reference 201408
Jmol-3D images Image 1
Properties
Molecular formula C12H26
Molar mass 170.33 g mol−1
Appearance Colorless liquid
Odor Gasoline-like to odorless
Density 780.8 mg mL−1 [2]
Melting point −10.0 to −9.3 °C; 14.1 to 15.2 °F; 263.2 to 263.8 K
Boiling point 214 to 218 °C; 417 to 424 °F; 487 to 491 K
log P 6.821
Vapor pressure 18 Pa (at 25 °C)[3]
kH 1.4 nmol Pa−1 kg−1
Refractive index (nD) 1.421
Viscosity 1.34 mPa s
Thermochemistry
Specific
heat capacity
C
376.00 J K−1 mol−1
Std molar
entropy
So298
490.66 J K−1 mol−1
Std enthalpy of
formation
ΔfHo298
−353.5–−350.7 kJ mol−1
Std enthalpy of
combustion
ΔcHo298
−7901.74 kJ mol−1
Hazards
MSDS hazard.com
GHS pictograms The health hazard pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word DANGER
GHS hazard statements H304
GHS precautionary statements P301+310, P331
EU classification Harmful Xn
R-phrases R65
S-phrases S62
NFPA 704
Flammability code 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g., diesel fuel Health code 1: Exposure would cause irritation but only minor residual injury. E.g., turpentine Reactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogen Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point 83 °C (181 °F; 356 K)
Explosive limits 0.6%
Related compounds
Related alkanes
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
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Infobox references

Dodecane (also known as dihexyl, bihexyl, adakane 12 or duodecane) is a liquid alkane hydrocarbon with the chemical formula CH3(CH2)10CH3 (or C12H26), an oily liquid of the paraffin series. It has 355 isomers.

It is used as a solvent, distillation chaser, and scintillator component. It is used as a diluent for tributyl phosphate (TBP) in plants reprocessing.[4]

Combustion reaction[edit]

The combustion reaction of dodecane is as follows:

C12H26(l) + 18.5 O2(g) → 12 CO2(g) + 13 H2O(g)
H˚ = –7513 kJ

One litre of fuel needs about 15 kg of air to burn, and generates 2.3 kg (or 1.2 m3) of CO2 upon complete combustion.

Jet fuel surrogate[edit]

In recent years, n-dodecane has garnered attention as a possible surrogate for kerosene-based fuels such as Jet-A, S-8, and other conventional aviation fuels. It is considered a second-generation fuel surrogate designed to emulate the laminar flame speed, largely supplanting n-decane, primarily due to its higher molecular mass and lower hydrogen to carbon ratio which better reflect the n-alkane content of jet fuels.

See also[edit]

References[edit]

  1. ^ "n-dodecane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 16 September 2004. Identification and Related Records. Retrieved 4 January 2012. 
  2. ^ D. Ambrose, C. Tsonopoulos, J. Chem. Eng. Data. 1995, 40, 531-546.
  3. ^ http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8182#x400
  4. ^ Rydberg, Jan (2004). Solvent Extraction Principles and Practice. Marcel Dekker. p. 524. ISBN 0-8247-5063-2. 

External links[edit]