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EC number: 201-070-7
CAS number: 77-93-0
The following results have been obtained from several databases and calculation software for the vapour pressure:1) 0.00189 mm Hg = 0.0025 hPa (at 25 °C) [HSDB, 2006]2a) 0.0025 mbar = 0.0025 hPa (at 25 °C) [Gestis, 2010]2b) 1.3 mbar = 1.3 hPa (at 107 °C) [Gestis, 2010]3) 0.3 Pa = 0.003 hPa (at 25 °C) [IPCS, 1999]4a) 0.000687 mmHg =0.000916 hPa (at 25 °C) [MPBPWIN 1.43; exp. data by Ohe, S., 1976]4b) 0.000313 mmHg =0.000418 hPa (at 25 °C) [MPBPWIN 1.43; calculated data using Modified Grain Method]
In the "Hazardous Substances Database"
(HSDB) a vapour pressure of 0.00189 mm Hg (= 0.0025 hPa) at 25 °C is
reported for triethyl citrate.
In the GESTIS substance database a vapour
pressure of 0.0025 mbar (= 0.0025 hPa) at 25 °C and 1.3 mbar (=1.3 hPa)
at 107 °C are reported for triethyl citrate.
In the "International Programme on Chemical
Safety" (IPCS) database a vapour pressure of 0.3 Pa (= 0.003 hPa) at 25
°C is reported for triethyl citrate. No further details are available in
all three databases.
As these results are (almost) identical, the
key value was chosen to be 0.0025 hPa at 25 °C.
the estimation of vapour pressure (as well as melting and boiling point)
was done by the MPBPWIN program (v 1.43) made
the U.S. Environmental Protection Agency.
This program requires just the input of the chemical structure of the
desired compound by SMILES notation. The
calculation is done by three different methods: Antoine, Modified Grain
and Mackay, whereby the Modified
Grain method is
preferentially utilized. By
taking this method into account and using an experimental boiling point
of 286.8 °C triethyl
citrate has a vapour pressure of 0.000313 mm Hg at 25 °C. Finally, an
experimental value is also stated in the database of the program, which
confirms the estimated result: 0.000687 mmHg (=0.0916 Pa) at 25°C (Ohe,
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