897-06-3

English npe :androsta-1,4-diene-3,17-dione
CAS Nr .: 897-06-3

Molecular Luj: 284.393
Qhov ceev: 1.1 ± 0.1 g / cm3

Kub taw tes: 434.2 ± 45. 0 degree C ntawm 760 mmHg
Cov mis mos molecular: C19H24O2

melting point: 138-139 degree C (lit.)

Lub cev thiab tshuaj muaj zog

Qhov ceev 1.1 ± 0.1 g/cm3
Boiling point 434.2 ± 45. 0 degree C ntawm 760 mmHg
Melting point 138-139 degree C (lit.)
Cov mis mos molecular C19H24O2
Molecular hnyav 284.393
Flash point 162.1 ± 25.7 ° C
Qhov tseeb zoo 284.177643
PSA 34.14000
LogP 2.92
Cov tsos mob: Dawb crystalline hmoov
Chav siab {{0}} 0 ± 1.0 mmHg ntawm 25 degree C
Refractive Index 1.569
Cia tej yam kev mob
Muab kaw cia

Kev ruaj ntseg
Nyob ruaj khov nyob rau hauv ib txwm kub thiab siab

Molecular Structure
1. Molar refractive index: 81.62

2. Molar ntim (m3/mol): 249.2

3. Tos piv (90.2K): 641.4

4. Nto nro (dyne/cm): 43.8

5. Polarization tus nqi (10-24cm3): 32.35

Computational Chemistry
1. Tus nqi siv rau hydrophobic parameter xam (XlogP): 3

2. Tus naj npawb ntawm cov neeg pub nyiaj hydrogen: 0

3. Tus naj npawb ntawm hydrogen daim ntawv lees txais: 2

4. Number of rotatable chemical bonds: 0

5. Tus naj npawb ntawm tautomers: 6

6. Topological Molecular Polarity Surface Area (TPSA): 34.1

7. Tus naj npawb ntawm cov atom hnyav: 21

8. Nto nqi: 0

9. kev: 584

1 0. Tus naj npawb ntawm isotopic atoms: 0

11. Txiav txim seb tus naj npawb ntawm atomic stereocenters: 5

12. Tsis paub tus naj npawb ntawm atomic stereocenters: 0

13. Txiav txim seb tus naj npawb ntawm cov tshuaj stereocenters: 0

14. Tsis paub tseeb tus lej ntawm cov tshuaj stereocenters: 0

15. Number of covalent bond units: 1

Thiab ntxiv

1. Cov tsos: Dawb hmoov

2. Ceev (g/mL, 25/4 degree): tsis tau txiav txim

3. Relative vapor density (g/mL, air=1): tsis txiav txim siab

4. Melting point (º C): 138-139 degree

5. Boiling point (º C, atmospheric siab): undetermined

6. Boiling point (º C, 5.2kPa): tsis paub meej

7. Refractive index: tsis paub meej

8. Flash point (º C): tsis paub meej

9. Kev sib hloov tshwj xeeb (º): tsis txiav txim siab

10. Spontaneous combustion point lossis ignition kub (º C): tsis txiav txim siab

11. Vapor siab (kPa, 25 º C): tsis txiav txim siab

12. Saturated vapor siab (kPa, 60 º C): tsis txiav txim siab

13. combustion kub (KJ/mol): tsis paub meej