Carbon monophosphide
- Formula: CP
- Molecular weight: 42.9845
- IUPAC Standard InChI: InChI=1S/CP/c1-2
- IUPAC Standard InChIKey: GDPLAAHPHNAIGW-UHFFFAOYSA-N
- CAS Registry Number: 12326-85-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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 | 107.53 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 51.687 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1962 |
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 600. | 600. to 6000. |
|---|---|---|
| A | 4.877400 | 8.606160 |
| B | 7.762080 | 0.281370 |
| C | -4.859221 | -0.053246 |
| D | 0.510365 | 0.004106 |
| E | 0.033380 | -0.285011 |
| F | 105.8820 | 104.1290 |
| G | 55.67371 | 60.79290 |
| H | 107.5270 | 107.5270 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1962 | Data last reviewed in June, 1962 |
Constants of diatomic molecules
Go To: Top, Gas 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 October, 1976
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| B 2Σ+ | 29100.4 | 836.32 H | 5.917 | 0.6829 1 2 | 0.00628 | 0.00000182 | 1.6894 | B → A R | 21934.3 H | |||
| ↳missing citation | ||||||||||||
| B → A R | 22092.6 H | |||||||||||
| ↳missing citation | ||||||||||||
| B → X 3 R | 28898.9 H | |||||||||||
| ↳missing citation | ||||||||||||
| A 2Πi | 7053.2 | 1061.99 HQ | 6.035 | 0.7135 4 | 0.0058 4 | 0.0000013 | 1.653 | |||||
| 6894.9 | 1061.99 HQ | 6.035 | 0.7135 4 | 0.0058 4 | 0.0000013 | 1.653 | ||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 2Σ+ | 0 | 1239.67 H | 6.86 | 0.7986 5 2 | 0.00597 | 0.00000133 | 1.5622 | |||||
Notes
| 1 | Spin-splitting constant γ = (-)0.006. |
| 2 | RKR potential curves Thakur and Singh, 1967. |
| 3 | Morse-potential Franck-Condon factors Wentink and Spindler, 1970. |
| 4 | Recalculated from head-head separations in the B-A system. Similar calculations by Barwald, Herzberg, et al., 1934 gave Be = 0.698, αe = 0.0077. The rotational analysis of the B-A, 0-0 band Chaudhry and Upadhya, 1969 yields B0 = 0.7101. |
| 5 | Spin-splitting constant γ = (+) 0.017. |
| 6 | Thermochemical value (mass-spectrom.) Gingerich, 1971, Smoes, Myers, et al., 1971, Kordis and Gingerich, 1973. |
References
Go To: Top, Gas 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]
Thakur and Singh, 1967
Thakur, S.N.; Singh, R.B.,
Potential curves and bond strength of CP, BeO and MgO,
J. Sci. Res. Banaras Hindu Univ., 1967, 18, 1, 253-264. [all data]
Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr.,
Franck-Condon Factors and r-centroids for No+, CP, SiF, BF, BCl, and BBr,
J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [all data]
Barwald, Herzberg, et al., 1934
Barwald, H.; Herzberg, G.; Herzberg, L.,
Bandenspektrum und struktur des CP-molekuls,
Ann. Phys. (Neue Folge), 1934, 20, 569. [all data]
Chaudhry and Upadhya, 1969
Chaudhry, A.K.; Upadhya, K.N.,
2Σ+-2Π band system in CP molecule,
Indian J. Phys., 1969, 43, 83. [all data]
Gingerich, 1971
Gingerich, K.A.,
Gaseous phosphorus compounds. Part V. The dissociation energy and heat of formation of carbon monophosphide,
Thermochim. Acta, 1971, 2, 233. [all data]
Smoes, Myers, et al., 1971
Smoes, S.; Myers, C.E.; Drowart, J.,
Determination of the atomization energies of CP, C2P, CP2 and C2P2 by high temperature Knudsen cell mass spectrometry,
Chem. Phys. Lett., 1971, 8, 10. [all data]
Kordis and Gingerich, 1973
Kordis, J.; Gingerich, K.A.,
Gaseous phosphorus compounds. IX. Mass spectrometric studies of equilibria in the carbon-phosporus system,
J. Chem. Phys., 1973, 58, 5058. [all data]
Notes
Go To: Top, Gas 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) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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