2-Butenoic acid, 4,4,4-trifluoro-3-(methylamino)-, ethyl ester, (2Z)-

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1999

Report date:

1999

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

gas saturation method

Test material

Test material information

Constituent 1

Reference substance name:

ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate

EC Number:

801-277-8

Cas Number:

507448-65-9

Molecular formula:

C7H10F3NO2

IUPAC Name:

ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate

Results and discussion

Vapour pressure

Vapour pressure 1

Temp.:

ca. 20 °C

Vapour pressure:

ca. 100 Pa

Remarks on result:

other: extrapolated

Vapour pressure 2

Temp.:

ca. 25 °C

Vapour pressure:

ca. 160 Pa

Remarks on result:

other: extrapolated

Any other information on results incl. tables

 

Vapour Pressure results – Reference Substance (Toluene)

 

In p = -A/T + B (p in Pascal; T in Kelvin)

 

A = 4810.009

B = 24.50073

 

From fit of measurements between -10.0 °C and 29.8 °C (liquid state)

 

Vapour Pressure at 20 °C: 3.3 x 10³Pa

                              at 30 °C: 5.6 x 10³Pa

 

Literature Values (guideline 104 OECD/198/105/12):

Vapour Pressure at 20 °C: 3.0 x 10³Pa

                              at 30 °C: 4.9 x 10³Pa

 

The measurement were done with two different saturation gas flow rates (1.7 l/hour an 3.2 l/hour), the saturation control was between the normal error limits for the gas saturation method. 

 

 

Vapour Pressure results – Test Substance

 

In p = -A/T + B (p in Pascal; T in Kelvin)

 

A = 7439.155

B = 30.01732

 

From fit of measurements between -0.6 °C and 39.6 °C (liquid state)

 

Vapour Pressure at 20 °C: 1.0 x 10²Pa

                              at 30 °C: 1.6 x 10²Pa

 

The measurement were done with three different saturation gas flow rates (2 l/hour an 4 l/hour and 6 l/hour), the saturation control was between the normal error limits for the gas saturation method. 

 

 

Phase Transition of Test Compound

 

No phase transitions were observed in the temperature region of the vapour pressure experiments, the substance is in the liquid state at room temperature. 

 

Tabulated Results

 

File ↓	Temperature	Saturation Gas Flow Rate	Volume	Duration of Experiment	Amount of transported substance	Vapour Pressure
Unit →	°C	ln/h	ln	h	mg	Pa x 10^2
826	30.18	2.02	9.477	4.70	199.0	2.42
827	19.68	2.01	3.034	1.51	27.0	1.02
828	19.67	4.01	2.882	0.72	26.6	1.06
829	9.89	4.02	8.696	2.16	33.9	4.49
830	-0.59	1.98	31.985	16.14	37.7	1.36
832	29.61	1.96	11.125	5.67	226.1	2.34
833	19.78	6.01	3.299	0.55	30.2	1.05
834	9.88	2.03	10.036	4.93	37.4	4.29
835	39.64	2.03	1.088	0.54	44.3	4.69

 

 

P =G x R x 273.15

          Mg x Vo

 

P = Pressure in Pascal

G = Amount transported substance in mg

R = Gas constant = 8.1451

Mg = Moluecular weight = 197.2

Vo = Gas volume inl_n,Iitre normal (0 °C, 1 bar)

 

Applicant's summary and conclusion

Conclusions:

It was determined that for the test substance the vapour pressure at:

20 °C: 100 Pa (extrapolated)

25 °C: 160 Pa (extrapolated)

Executive summary:

It was determined that for the test substance the vapour pressure at:

20 °C: 100 Pa (extrapolated)

25 °C: 160 Pa (extrapolated)