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Vapour pressure

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Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
1947
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Measured experimental and predicted data used for extrapolation by Riedel method
Qualifier:
equivalent or similar to
Guideline:
other: Not stated
Principles of method if other than guideline:
DIPPR used experimental data from Stull (vapour pressures at 213 to 45 °C) and extrapolated it to lower temperatures using QSAR
GLP compliance:
no
Type of method:
other: Not stated
Key result
Temp.:
-51.5 °C
Vapour pressure:
0.004 Pa
Key result
Temp.:
426 °C
Vapour pressure:
31 973 hPa

Equation: Y=exp(A+B/T+C*ln(T)**E) (<5% Err)

where equation coefficients

A = 111.25

B = -10604

C = -12.82

D = 0.0000058628

E = 2.00

Temperature (K)

Vapour pressure (Pa)

% Error

Data type

Accept code

318.15

1.3332E+02

<10

smooth

accept eval

346.55

6.6661E+02

<10

smooth

accept eval

360.75

1.3332E+03

<10

smooth

accept eval

375.45

2.6664E+03

<10

smooth

accept eval

392.75

5.3329E+03

<10

smooth

accept eval

402.95

7.9993E+03

<10

smooth

accept eval

417.15

1.3332E+04

<10

smooth

accept eval

438.65

2.6664E+04

<10

smooth

accept eval

462.15

5.3329E+04

<10

smooth

accept eval

486.65

1.0132E+05

<10

smooth

accept eval

319.15

5.3329E+01

<25

exper

reject uneval

322.15

9.3325E+01

<25

exper

reject uneval

324.75

1.1999E+02

<25

exper

reject uneval

327.35

1.3332E+02

<25

exper

reject uneval

337.65

3.3330E+02

<25

exper

reject uneval

348.95

5.9995E+02

<25

exper

reject uneval

362.15

1.1466E+03

<25

exper

reject uneval

375.15

2.0532E+03

<25

exper

reject uneval

388.75

3.7997E+03

<25

exper

reject uneval

402.85

6.7861E+03

<25

exper

reject uneval

417.25

1.1946E+04

<25

exper

reject uneval

429.15

1.8265E+04

<25

exper

reject uneval

333.15

1.8932E+02

<25

exper

reject uneval

318.15

1.3332E+02

<25

exper

reject uneval

221.65

4.0840E-03*

 <25

 predict

accept

253.47

2.8850E-01*

 <25

 predict

accept

285.30

7.1210E+00*

 <25

 predict

accept

317.12

8.5170E+01*

 <25

 predict

accept

348.94

6.0680E+02*

 <25

 predict

accept

380.77

2.9510E+03*

 <25

 predict

accept

412.59

1.0750E+04*

 <3

 predict

accept

444.41

3.1400E+04*

 <3

 predict

accept

476.24

7.7090E+04*

 <3

 predict

accept

508.06

1.6510E+05*

 <3

 predict

accept

539.88

3.1740E+05*

 <3

 predict

accept

571.71

5.5990E+05*

 <3

 predict

accept

603.53

9.2320E+05*

 <3

 predict

accept

635.35

1.4440E+06*

 <3

 predict

accept

667.18

2.1730E+06*

 <3

 predict

accept

383.65

3.3331E+03

unkwn

exper

uneval

489.15

1.0159E+05

unkwn

exper

uneval

*Note: Estimated by Riedel's method
Conclusions:
The vapour pressure were estimated by regression to be 0.003906 Pa at -51.5 °C and 31973 hPa at 426 °C.
Executive summary:

The vapour pressure were estimated by regression to be 0.003906 Pa at -51.5 °C and 31973 hPa at 426 °C.

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
1954
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The data was obtained by a recognized QSAR and are consistent with chemical structure
Qualifier:
equivalent or similar to
Guideline:
other: Not listed
Principles of method if other than guideline:
Calculated/Mean of Antoine & Grain method
GLP compliance:
no
Type of method:
other: Calculation
Key result
Temp.:
25 °C
Vapour pressure:
0.24 hPa

Temperature (K)

Vapour pressure (Pa)

% Error

Data type

221.65

4.0840E-03

<25

Predict accept

253.47

2.8850E-01

<25

Predict accept

285.30

7.1210E+00

<25

Predict accept

317.12

8.5170E+02

<25

Predict accept

348.94

6.0680E+03

<25

Predict accept

380.77

2.9510E+04

<25

Predict accept

412.59

1.0750E+04

<3

Predict accept

444.41

3.1400E+04

<3

Predict accept

476.24

7.7090E+05

<3

Predict accept

508.06

1.6510E+05

<3

Predict accept

539.88

3.1740E+05

<3

Predict accept

571.71

5.5990E+05

<3

Predict accept

603.53

9.2320E+05

<3

Predict accept

635.35

1.4440E+06

<3

Predict accept

667.18

2.1730E+06

<3

Predict accept

Conclusions:
The calculated vapour pressure of benzyl acetate at 25 °C was 0.25 hPa.
Executive summary:

The calculated vapour pressure of benzyl acetate at 25 °C was 0.25 hPa.

Description of key information

The vapour pressure at 25 °C was calculated to be 0.25 hPa (Reidel, 1954). The vapour pressure were estimated by regression to be 0.003906 Pa at -51.5 °C and 31973 hPa at 426 °C.

Key value for chemical safety assessment

Vapour pressure:
0.25 hPa
at the temperature of:
25 °C

Additional information