Undecane

C11H24, 156.313 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.

Organic — hydrocarbon9 measured properties

Drawn from the SMILES. It shows how the atoms are connected — not a photograph of a molecule, and not its shape in space.

Identifiers

Molecular formula: C₁₁H₂₄
Molecular weight: 156.313 g/mol
Exact mass: 156.187801 g/mol
SMILES: CCCCCCCCCCC
InChI: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Both are open without an account.

Measured properties

Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.

Boiling Point: 384.6 °F at 760 mmHg (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; boiling point equals 385 °Fmeasured · reference compound database; 195.9 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544; 195.00 to 198.00 °C. @ 760.00 mm Hgmeasured · The Good Scents Company Information System; 195.6 °C @760 [mm Hg]measured · reference compound database
Melting Point: -14.1 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; -25.54 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544; -26.00 °C. @ 760.00 mm Hgmeasured · The Good Scents Company Information System; -25.75 °Cmeasured · reference compound database
Flash Point: 149 °F (NFPA, 2010)measured · National Fire Protection Association. 2010. Fire Protection Guide to Hazardous Materials, 14th edition, edited by Guy R. Colonna. Quincy, MA: National Fire Protection Association. Note that this information is subject to the copyright restrictions of the organization that provided the data.; 300 °Fmeasured · reference compound database; 62.0 °C (143.6 °F) - closed cupmeasured · Sigma-Aldrich; Safety Data Sheet for Undecane. Product Number: U407, Version 4.8 (Revision Date 06/19/2015). Available from, as of November 10, 2015: https://www.sigmaaldrich.com/safety-center.html; 149 °F (65 °C) (open cup)measured · National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-69
Solubility: In water, 0.014 mg/L at 25 deg (critical evaluation of all available data)measured · Shaw DG; Hydrocarbons with Water and Seawater. Part II: Hydrocarbons C8 to C36. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 38 p. 326 (1989); In water, 0.0044 mg/L at 25 °Cmeasured · Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806; Miscible with ethyl alcohol, ethermeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544
Density: 0.74017 at 68 °F (NTP, 1992) - Less dense than water; will floatmeasured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 0.7402 g/cu cm at 20 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544; 0.7402 @25 °Cmeasured · reference compound database
Vapor Pressure: 0.41 [mmHg]measured · reference compound database; 0.412 mm Hg at 25 °Cmeasured · Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999)
LogP: 6.54measured · reference compound database
Viscosity: 1.098 mPa s at 25 °Cmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 15-22
Refractive Index: Index of refraction: 1.4398 at 20 °C/Dmeasured · Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544

Calculated properties

Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.

logP: 4.5371calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 0 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 0calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 8calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 52.901 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.4526calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon11 atoms · 84.5% by mass
H Hydrogen24 atoms · 15.5% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 11
Total atoms, hydrogen included: 35
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Undecane yet.

Other names for it

No systematic name is recorded.

The sources also call it N-UNDECANE, Hendecane, n-Hendecane, Decane, methyl-, Undecane, >=99%, n-Undecane; Hendecane, CCRIS 3796, undecan, Hendekan, Undekan, Undecane, 99%, Undecane [UN2330] [Flammable liquid].

Structurally related

Nothing structurally close to Undecane has a page here yet.

Where these values came from

chemistry engine
structure perception

No matching record was found in the currently indexed sources (reference compound database)..

What this page does not claim

The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.

Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.