n-Butyl nitrite
- Formula: C4H9NO2
- Molecular weight: 103.1198
- IUPAC Standard InChI: InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
- IUPAC Standard InChIKey: JQJPBYFTQAANLE-UHFFFAOYSA-N
- CAS Registry Number: 544-16-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Nitrous acid, butyl ester; Butyl nitrite; n-C4H9ONO; Nitrous acid, n-butyl ester; NBN; NCI-C56553; UN 2351; Butyl ester of nitrous acid; NSC 8426
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -34.8 ± 1.0 | kcal/mol | Ccb | Batt, Christie, et al., 1974 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -43.6 | kcal/mol | Ccb | Batt, Christie, et al., 1974 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -640.0 ± 0.2 | kcal/mol | Ccb | Batt, Christie, et al., 1974 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 351.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 350. to 352. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 8.8 | kcal/mol | E | Batt, Christie, et al., 1974 | ALS |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H9+ | 10.6 | ? | EI | Tsuda and Hamill, 1966 | |
| C4H9O+ | 9.94 ± 0.05 | NO | EI | Williams and Hamill, 1968 | |
| NO+ | 11.48 ± 0.05 | ? | EI | Williams and Hamill, 1968 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Batt, Christie, et al., 1974
Batt, L.; Christie, K.; Milne, R.T.; Summers, A.J.,
Heats of formation of C1-C4 alkyl nitrites (RONO) and their RO-NO bond dissociation energies,
Int. J. Chem. Kinet., 1974, 6, 877-886. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Tsuda and Hamill, 1966
Tsuda, S.; Hamill, W.H.,
Ionization efficiency measurements by the retarding potential difference method,
Advan. Mass Spectrom., 1966, 3, 249. [all data]
Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
J. Chem. Phys., 1968, 49, 4467. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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