Lauric Acid

A carboxylic acid, C12H24O2, 200.322 g/mol. Boiling point 298.9 °C, melting point 43.2 °C, as published.

verified recordOrganic — carboxylic acid9 measured properties

Identifiers

Molecular formula: C₁₂H₂₄O₂
Molecular weight: 200.322 g/mol
Exact mass: 200.17763 g/mol
IUPAC name: dodecanoic acid
SMILES: CCCCCCCCCCCC(=O)O
InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 437 °F at 100 mmHg (NTP, 1992)measured · CAMEO Chemicals; 298.9 °Cmeasured · DrugBank
Melting Point: 111 °F (NTP, 1992)measured · CAMEO Chemicals; 43.2 °Cmeasured · DrugBank
Density: 0.883 (USCG, 1999) - Less dense than water; will floatmeasured · CAMEO Chemicals; 0.8679 g/cu cm at 50 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: less than 1 mg/mL at 70 °F (NTP, 1992)measured · CAMEO Chemicals; 4.81 mg/L (at 25 °C)measured · DrugBank
Vapor Pressure: 1 mmHg at 250 °F ; 5 mmHg at 303.1 °F; 760 mmHg at 570.6 °F (NTP, 1992)measured · CAMEO Chemicals; 1.6X10-5 mm Hg at 25 °C (extrapolated)measured · Hazardous Substances Data Bank (HSDB)
LogP: 4.6measured · DrugBank; log Kow = 4.60measured · Hazardous Substances Data Bank (HSDB)
Flash Point: 235 °F (NTP, 1992)measured · CAMEO Chemicals; [HSDB] 113 °Cmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Viscosity: 7.30 mPa.sec at 50 °Cmeasured · Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V4: 817 (1978)
Refractive Index: Index of refraction: 1.41830 at 82 °C/Dmeasured · Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-224

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 200.32 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 200.177630004 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 4.2calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 37.3 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 132calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 1calculated · reference compound database
H-bond acceptors: 2calculated · reference compound database
logP: 3.9919calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 37.3 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 1calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 10calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 59.4798 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 0.9167calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.5413calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon12 atoms · 72.0% by mass
O Oxygen2 atoms · 16.0% by mass
H Hydrogen24 atoms · 12.1% 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: 14
Total atoms, hydrogen included: 38
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Carboxylic acid
A carbon double-bonded to oxygen and bonded to an –OH group; acidic.

Matched by structural pattern, not by a measurement.

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 Lauric Acid yet.

Other names for it

The systematic name on this record is dodecanoic acid.

The sources also call it DODECANOIC ACID, n-Dodecanoic acid, Dodecylic acid, Laurostearic acid, Vulvic acid, Dodecoic acid, Duodecylic acid, 1-Undecanecarboxylic acid, Aliphat No. 4, Ninol AA62 Extra, Wecoline 1295.

Structurally related

Nothing structurally close to Lauric Acid has a page here yet.

Where these values came from

reference compound database3893
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.