33838-52-7

Basic information

• Product Name: N-HEPTANE-D16
• Synonyms: N-HEPTANE-D16;HEPTANE-D16;hexadecadeutero-heptane;HEPTANE-D16, 99 ATOM % D;N-HEPTANE-D1, 98% (ISOTOPIC);n-Heptane-d,98%(Isotopic);n-Heptane-D16 >99.0 Atom % D;n-Heptane-d16, 98%(Isotopic)
• CAS NO: 33838-52-7
• Molecular Formula: C₇H₁₆
• Molecular Weight: 116.3
• EINECS: 205-563-8
• Product Categories: Alphabetical Listings;Fatty AcidsStable Isotopes;G-HStable Isotopes;NMR - Solvents;NMR Solvents and Reagents;NMRStable Isotopes;Stable Isotopes
• Mol File: 33838-52-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: -91 °C(lit.)
• Boiling Point: 98 °C(lit.)
• Flash Point: 30 °F
• Appearance: /Liquid
• Density: 0.794 g/mL at 25 °C(lit.)
• Vapor Density: 3.5 (vs air)
• Vapor Pressure: 40 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.3844(lit.)
• Storage Temp.: Flammables area
• Solubility: Difficult to mix.
• Sensitive: Hygroscopic
• Stability: Stable. Incompatible with oxidizing agents. Highly flammable. Hygroscopic.
• BRN: 1730763
• CAS DataBase Reference: N-HEPTANE-D16(CAS DataBase Reference)
• NIST Chemistry Reference: N-HEPTANE-D16(33838-52-7)
• EPA Substance Registry System: N-HEPTANE-D16(33838-52-7)

Safety Data

• Hazard Codes: F
• Statements: 11-67-65-50/53-38
• Safety Statements: 9-16-23-29-33-62-61-60
• RIDADR: UN1206
• WGK Germany: 3
• RTECS: MI7700000
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 33838-52-7(Hazardous Substances Data)

Usage

Chemical Properties

colourless liquid with a gasoline-like smell

Uses

n-Heptane-d16 (Reagent grade) (CAS# 33838-52-7) is a useful isotopically labeled research compound.

InChI:InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2

Upstream product

• 142-82-5 n-heptane 
• 1735-17-7 Cyclohexane-d12 
• 124-38-9 carbon dioxide 

Downstream Products

• 1735-17-7 Cyclohexane-d12 

Relevant articles and documents

COMPOSITIONS AND METHODS FOR CO2 ADSORPTION AND CONVERSION TO LONG-CHAIN HYDROCARBONS

The invention provides novel, low-cost catalysts and methods for their preparation and application in CO2 adsorption and conversion to long-chain hydrocarbons via photosynthesis with ambient CO2 and solar energy.

Ionization Energies and Entropies of Cycloalkanes. Kinetics of Free Energy Controlled Charge-Transfer Reactions.

Enthalpies and entropies of ionization (ΔH0ion and ΔS0ion) of alkylcyclohexanes, as well as cycloheptane, cyclooctane, and trans-Decalin, have been determined by charge-transfer equilibrium measurements.Values of ΔHion, in units of kcal mol-1 (or eV), range from 229.6 (9.96) for cycloheptane to 210.7 (9.14) for trans-Decalin.A major effect of alkyl substitution is observed following substitution at a site α to a tertiary hydrogen atom (as from methylcyclohexane to 1,2-dimethylcyclohexane), or following replacement of a tertiary hydrogen atom (as from methylcyclohexane to 1,1-dimethylcyclohexane).In both cases, ΔH0 ion decreases by ca. 5 kcal mol-1.Entropies of ionization are near zero for alkylcyclohexanes but range up to 5 cal deg-1 mol-1 for nonsubstituted cycloalkanes (cyclooctane).The charge-transfer reactions involving the cycloalkanes are shown to be fast processes; i.e., the sum of the reaction efficiencies (r=k/kcollision) of the forward and reverse processes is near unity.The efficiencies of these processes appear to be determined uniquely by the overall free energy change (or equilibrium constant K).Specifically, the reaction efficiencies are defined, within a factor of 2 by the relation r=K/(1+K), which can be justified by using transition-state theory applied to the decomposition of a collision complex over surfaces lacking energy barriers.These reactions are defined as intrinsically fast processes in that they are slowed only by the overall reaction thermochemistry and not by any properties or reactions of the intermediate complex.