Physical Properties of 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)

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Baird , Z S , Dahlberg , A , Uusi-Kyyny , P , Osmanbegovic , N , Witos , J , Helminen , J , Cederkrantz , D , Hyväri , P , Alopaeus , V , Kilpeläinen , I , Wiedmer , S K & Sixta , H 2019 , ' Physical Properties of 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD) ' , International Journal of Thermophysics , vol. 40 , no. 7 , 71 . https://doi.org/10.1007/s10765-019-2540-2

Title: Physical Properties of 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD)
Author: Baird, Zachariah Steven; Dahlberg, Artur; Uusi-Kyyny, Petri; Osmanbegovic, Nahla; Witos, Joanna; Helminen, Jussi; Cederkrantz, Daniel; Hyväri, Paulus; Alopaeus, Ville; Kilpeläinen, Ilkka; Wiedmer, Susanne K.; Sixta, Herbert
Contributor: University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
Date: 2019-07
Language: eng
Number of pages: 23
Belongs to series: International Journal of Thermophysics
ISSN: 0195-928X
URI: http://hdl.handle.net/10138/304713
Abstract: 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (mTBD) has useful catalytic properties and can form an ionic liquid when mixed with an acid. Despite its potential usefulness, no data on its thermodynamic and transport properties are currently available in the literature. Here we present the first reliable public data on the liquid vapor pressure (temperature from 318.23K to 451.2K and pressure from 11.1Pa to 10000Pa), liquid compressed density (293.15K to 473.15K and 0.092MPa to 15.788MPa), liquid isobaric heat capacity (312.48K to 391.50K), melting properties, liquid thermal conductivity (299.0K to 372.9K), liquid refractive index (293.15K to 343.15K), liquid viscosity (290.79K to 363.00K), liquid-vapor enthalpy of vaporization (318.23K to 451.2K), liquid thermal expansion coefficient (293.15K to 473.15K), and liquid isothermal compressibility of mTBD (293.15K to 473.15). The properties of mTBD were compared with those of other relevant compounds, including 1,5-diazabicyclo(4.3.0)non-5-ene (DBN), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), and 1,1,3,3-tetramethylguanidine (TMG). We used the PC-SAFT equation of state to model the thermodynamic properties of mTBD, DBN, DBU, and TMG. The PC-SAFT parameters were optimized using experimental data.
Subject: Density
mTBD
PC-SAFT
Thermodynamic properties
Vapor pressure
EQUATION-OF-STATE
THERMODYNAMIC PROPERTIES
VAPORIZATION ENTHALPIES
WATER
1,1,3,3-TETRAMETHYLGUANIDINE
TEMPERATURES
PRESSURES
CATALYSTS
LIQUIDS
PURE
116 Chemical sciences
114 Physical sciences
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