aluminium nitride
- Formula: AlN
- Molecular weight: 40.9882
- IUPAC Standard InChI: InChI=1S/Al.N
- IUPAC Standard InChIKey: PIGFYZPCRLYGLF-UHFFFAOYSA-N
- CAS Registry Number: 24304-00-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Aluminum nitride
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 125.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.613 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1979 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 8.655581 |
| B | 0.349458 |
| C | -0.067816 |
| D | 0.008077 |
| E | -0.094963 |
| F | 122.0860 |
| G | 64.45270 |
| H | 125.0000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1979 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -75.999 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 4.814 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1979 |
Solid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 900. | 900. to 3000. |
|---|---|---|
| A | 4.118700 | 11.89860 |
| B | 20.46800 | 0.534906 |
| C | -19.90270 | -0.177343 |
| D | 7.082761 | 0.021021 |
| E | -0.128569 | -0.672324 |
| F | -78.40791 | -81.57679 |
| G | 3.793069 | 15.94290 |
| H | -76.00010 | -76.00010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1979 | Data last reviewed in December, 1979 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through December, 1975
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 3Πi | 1 | [0.5811] 2 3 | [0.00000139] | [1.7739] | A → X V | 19727.37 Z | ||||||
| ↳missing citation | ||||||||||||
| (X) 3Πi | 0 4 5 | [746.93] Z | 0.5730 2 | 0.0056 | [0.00000136] | 1.7864 | ||||||
Notes
| 1 | A0 = -23.0 |
| 2 | All lines in the 3Π2 - 3Π2 and high J lines in the 3Π0 - 3Π1 subbands are broad (~0.15 cm-1), probably on account of unresolved nuclear hyperfine structure. |
| 3 | Predissociation near J=48. |
| 4 | A0 = -33.0, A1= -34.5. |
| 5 | Not certain that this is the ground state. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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