Search results for "Heptane"
showing 10 items of 103 documents
CCDC 1873718: Experimental Crystal Structure Determination
2019
Related Article: Peipei Cen, Xiangyu Liu, Jesús Ferrando-Soria, Yi-Quan Zhang, Gang Xie, Sanping Chen, Emilio Pardo|2018|Chem.-Eur.J.|25|3884|doi:10.1002/chem.201805608
CCDC 250973: Experimental Crystal Structure Determination
2005
Related Article: J.F.Schneider, M.Nieger, K.Nattinen, B.Lewall, E.Niecke, K.H.Dotz|2005|Eur.J.Org.Chem.|2005|1541|doi:10.1002/ejoc.200400800
Application of headspace solid phase dynamic extraction gas chromatography/mass spectrometry (HS-SPDE-GC/MS) for biomonitoring of n-heptane and its m…
2011
Abstract Solid phase dynamic extraction (SPDE) is an innovative sample preparation and enrichment technique in connection with gas chromatography (GC). Using SPDE, we developed a method for simultaneous determination of n-heptane and its mono-oxygenated metabolites heptane-4-one, 3-one, 2-one, 4-ol, 3-ol, 2-ol, and 1-ol in blood. After adjustment of various extraction and desorption parameters, method validation resulted in limits of detection (LOD) between 0.006 (heptane-4-one) and 0.021 mg/L (heptane-1-ol). Intra-assay coefficients of variation ranged between 4.8% and 20.8% while relative recovery ranged between 100% and 117% (spiked concentration 0.128 mg/L, n = 8). The method was appli…
Urinary excretion of heptanones, heptanoles and 2,5-heptanedione after controlled acute exposure of volunteers to n-heptane.
2018
A lack of well-established parameters and assessment values currently impairs biomonitoring of n-heptane exposure. Using controlled inhalation experiments, we collected information on urinary n-heptane metabolite concentrations and the time course of metabolite excretion. Relationships between external and internal exposure were analysed to investigate the suitability of selected metabolites to reflect n-heptane uptake. Twenty healthy, non-smoking males (aged 19-38 years, median 25.5) were exposed for 3 h to 167, 333 and 500 ppm n-heptane, each. Spot urine samples of the volunteers, collected before exposure and during the following 24 h, were analysed for heptane-2-one, 3-one, 4-one, 2,5-d…
Catalytic cracking of alkanes on MCM-22 zeolite. Comparison with ZSM-5 and beta zeolite and its possibility as an FCC cracking additive
1995
Abstract N-heptane cracking has been carried out on MCM-22, and its kinetic and decay behaviour is compared with that of ZSM-5 and Beta zeolites. In the case of MCM-22 cracking occurs in the 10-member ring channel system, as well as in the large cavities formed by 12-member rings. Product selectivities show that MCM-22, while presenting features which indicate structural similarities with ZSM-5, it also presents characteristics corresponding to pores or cavities larger than ZSM-5. The selectivities to the individual products together with C1 + C2/iC4, C3/C4, C5/C2, iC4/total C4, and alkane/alkene ratios indicate that MCM-22 has good properties to be used as an FCC octane booster additive sp…
Electronic excitations of 1,4-disilyl-substituted 1,4-disilabicycloalkanes: a MS-CASPT2 study of the influence of cage size.
2007
We present a multistate complete active space second-order perturbation theory computational study aimed to predict the low-lying electronic excitations of four compounds that can be viewed as two disilane units connected through alkane bridges in a bicyclic cage. The analysis has focused on 1,4-disilyl-1,4-disilabicyclo[2.2.1]heptane (1a), 1,4-bis(trimethylsilyl)-1,4-disilabicyclo[2.2.1]heptane (1b), 1,4-disilyl-1,4-disilabicyclo[2.1.1]hexane (2a), and 1,4-bis(trimethylsilyl)-1,4-disilabicyclo[2.1.1]hexane (2b). The aim has been to find out the nature of the lowest excitations with significant oscillator strengths and to investigate how the cage size affects the excitation energies and the…
Formation of products responsible for motor and research octane of gasolines produced by cracking The implication of framework Si/Al ratio and operat…
1989
Abstract An alkane in the range of gasoline fraction ( n -heptane) has been used as a reactant to study the influence of zeolite Y catalyst and process variables (i.e., framework Si Al ratio and procedure of dealumination, time on stream, and contact time) on the formation of products responsible for motor and research octane of gasoline during cracking, namely branched, aromatics, and olefins. It is found that the branched isomers in the C 5 and C 6 fractions appear as primary products and are partly produced by disproportionation, since the ratio of iso to normal compounds is above equilibrium. The ratio of branched to linear products strongly decreases when the number of carbon atoms of …
Group contributions to the infinite dilution partial molar volumes of alkanes, alcohols, and glycols in polar organic solvents
1997
Densities of binary mixtures of polar organic solvents with alcohols were measured at 25‡C. The solvents studied were N,N-dimethylformamide, dimethylsulfoxide, and formamide while alcohols were butanol, pentanol, hexanol, and 1,4-butanediol. Density measurements of hydrocarbons (from pentane to dodecane and some heptane isomers) + N,N-dimethylformamide were also performed. From these data the apparent molar volumes of alcohols and hydrocarbons as functions of concentration were calculated. The standard partial molar volumes were obtained by extrapolation to infinite dilution and are discussed in terms of group contributions.
Cracking of n-heptane on a hzsm-5 zeolite. The influence of acidity and pore structure
1985
Abstract The crackino of n-heptane on a HZSM-5 zeolite has been studied in a continuous qlass flow reactor, at atmospheric pressure, up to 470°C. The initial selectivities to the different reaction products, kinetic rate constants, activation energies and decay parameters have been calculated and compared with those obtained using a large pore zeolite (HYUS). A different product distribution is obtained with the two zeolites. In that way, and considering initial selectivities, different C 6 /C 1 , C 5 /C 2 , C 4 /C3, i-C 4 /n-C 4 , ethylene/ethane, propylene/propane ratios have been found on the two zeolite catalysts. The results have been quantitatively explained by considerinq a direct cr…
Evidence in the formation of conjugated linoleic acids from thermally induced 9t12t linoleic acid: a study by gas chromatography and infrared spectro…
2009
Accepted version of article published in the journal: Chemistry and Physics of Lipids. Published version available on Science Direct: http://dx.doi.org/10.1016/j.chemphyslip.2009.07.002 Thermally induced isomerisation leading to the formation of conjugated linoleic acids (CLAs) has been observed for the first time during the thermal treatment of 9t12t fatty acid triacylglycerol, and methyl ester. Fifteen microlitre portions of the triacylglycerol sample containing 9t12t fatty acid (trilinoelaidin) were placed in micro glass ampoules and sealed under nitrogen, then subjected to thermal treatment at 250 degrees C. The glass ampoules were removed at regular time intervals, cut open, and the co…