n-Pentadecane

• CAS: 629-62-9
• Catalog Number: ACM629629-1
• Category: Main Products
• Molecular Weight: 212.41
• Molecular Formula: C15H32
• Synonyms: Pentadekan
• Appearance: Solid
• Complexity: 84
• Defined Atom Stereocenter Count: 0
• Exact Mass: 212.2504
• Formal Charge: 0
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 212.2504
• Rotatable Bond Count: 12
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 7.7

Case Study

n-Pentadecane Autoignition Characteristics and Kinetic Modeling for Combustion

Raza, Mohsin, et al. Fuel 287 (2021): 119558.

n-Pentadecane is a representative long-chain n-alkane found in diesel and jet fuel surrogates. This study provides the first comprehensive experimental investigation of n-pentadecane autoignition, filling a critical gap in the kinetic database for n-alkanes beyond nC12. The research also presents an updated chemical kinetic mechanism with revised rate constants informed by the new experimental data.
Experimental Protocol: Ignition delay times were measured using a rapid compression machine for low-to-intermediate temperatures (650-950 K) and a heated shock tube for intermediate-to-high temperatures (900-1450 K). Experiments spanned equivalence ratios of Phi = 0.5-2.0, with fuel/air mixtures for the fuel-lean condition and diluted mixtures otherwise. Pressures of 6 and 10 bar were investigated in both facilities, with an additional 15 bar series in the shock tube.
Performance Evaluation: n-Pentadecane exhibited characteristic two-stage ignition behavior and a pronounced negative temperature coefficient (NTC) regime across the conditions tested. Ignition delay times displayed strong sensitivity to pressure, equivalence ratio, and oxygen mole fraction. The updated kinetic mechanism demonstrated marked improvement over the prior model, particularly at low temperatures, capturing NTC behavior and two-stage ignition features with substantially reduced error when effective volume profiles were incorporated. Comparisons across C10-C16 n-alkanes revealed only modest effects of chain length on reactivity at high temperatures, while distinct reactivity differences emerged at intermediate-to-low temperatures. Reaction flux analysis confirmed that secondary fuel radicals dominate low-temperature chain-branching pathways via ketohydroperoxide formation, whereas primary radicals act to inhibit reactivity.

n-Pentadecane Binary Mixtures with Alkylcyclohexanes: Thermophysical Property Analysis

Prak, Dianne Jeanne Luning. Journal of Chemical & Engineering Data 68.9 (2023): 2198-2211.

While n-pentadecane has been employed in surrogate mixtures for synthetic paraffinic kerosene, RP-3 kerosene, and diesel fuel, its mixture properties with n-alkylcyclohexanes-another major fuel chemical class-had not been previously characterized. This study addresses that gap by systematically measuring and analyzing the density, viscosity, and speed of sound behavior of these binary systems.
Experimental Protocol: Densities, speeds of sound, and dynamic viscosities of binary mixtures of n-pentadecane with ten n-alkylcyclohexanes (ranging from methyl- to dodecylcyclohexane) were measured at seven temperatures from 288.15 to 333.15 K at atmospheric pressure. Multiple mole fractions were prepared gravimetrically for each binary system. From the primary measurements, excess molar volumes, excess speeds of sound, excess isentropic compressibilities, and viscosity deviations were derived using established thermodynamic mixing relations. Kinematic viscosity data were correlated using the McAllister three-body model, and excess molar volumes were fitted using Redlich-Kister polynomial expressions.
Performance Evaluation: Excess molar volumes and viscosity deviations for n-pentadecane mixtures consistently fell between previously reported values for n-tetradecane and n-hexadecane systems, confirming predictable trends with linear alkane chain length. Excess molar volumes increased with decreasing n-alkylcyclohexane molar mass, with methylcyclohexane exhibiting the largest positive values. The lowest excess speeds of sound and highest excess isentropic compressibilities occurred with ethylcyclohexane mixtures, while the most negative viscosity deviations were found with n-decylcyclohexane.

Custom Q&A

What is the molecular formula of n-pentadecane?

The molecular formula of n-pentadecane is C15H32.

What are the synonyms of n-pentadecane?

The synonyms of n-pentadecane are Pentadecane and N-Pentadecane.

What is the molecular weight of n-pentadecane?

The molecular weight of n-pentadecane is 212.41 g/mol.

Is n-pentadecane a colorless liquid?

Yes, n-pentadecane is a colorless liquid.

What is the IUPAC name of n-pentadecane?

The IUPAC name of n-pentadecane is pentadecane.

What is the InChIKey of n-pentadecane?

The InChIKey of n-pentadecane is YCOZIPAWZNQLMR-UHFFFAOYSA-N.

What is the CAS number of n-pentadecane?

The CAS number of n-pentadecane is 629-62-9.

Does n-pentadecane have any hydrogen bond donor count?

No, n-pentadecane does not have any hydrogen bond donor count.

How many rotatable bonds does n-pentadecane have?

n-pentadecane has 12 rotatable bonds.

What is the heavy atom count of n-pentadecane?

The heavy atom count of n-pentadecane is 15.