Isobutyl nitrite
- Formula: C4H9NO2
- Molecular weight: 103.1198
- IUPAC Standard InChI: InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
- IUPAC Standard InChIKey: APNSGVMLAYLYCT-UHFFFAOYSA-N
- CAS Registry Number: 542-56-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: (CH3)2CHCH2ONO; Nitrous acid, 2-methylpropyl ester; Nitrous acid, isobutyl ester; IBN; NCI-C61052
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Gas phase thermochemistry data
Go To: Top, Gas Chromatography, 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 | -36.1 ± 1.0 | kcal/mol | Ccb | Batt, Christie, et al., 1974 |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 544. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 576. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 576. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Carbowax 6M | 725. | Zenkevich and Malamakhov, 1984 | Nitrogen, Chromaton N AW (0.25-0.315 mm); Column length: 2. m; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Zenkevich and Malamakhov, 1984
Zenkevich, I.G.; Malamakhov, A.S.,
Group Chromato Mass Spectrometric Identification of Alkylnitrites,
Zh. Anal. Khim. (Rus), 1984, 39, 10, 1864-1868. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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