Propanenitrile, 3-methoxy-
- Formula: C4H7N
- Molecular weight: 69.1051
- IUPAC Standard InChIKey: OOWFYDWAMOKVSF-UHFFFAOYSA-N
- CAS Registry Number: 110-67-8
- 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. - Species with the same structure:
- Other names: Propionitrile, 3-methoxy-; β-Methoxypropionitrile; β-Methyoxypropionitrile; 1-Cyano-2-methoxyethane; 2-Cyanoethyl methyl ether; 3-Methoxypropanenitrile; 3-Methoxypropionitrile; 3-Methoxypropylnitrile; 3-Methoxypropannitril; 1-Methoxy-2-cyanoethane; Methyl β-cyanoethyl ether; NSC 4090; 3-methoxypropiononitrile
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Phase change data
Go To: Top, Gas phase ion energetics data, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 437.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 436.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 211.0 | K | N/A | Anonymous, 1954 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tfus | 210.12 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 210.2 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.1 K; TRC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: John E. Bartmess
De-protonation reactions
C4H6NO- + =
By formula: C4H6NO- + H+ = C4H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 374.7 ± 2.1 | kcal/mol | G+TS | Bartmess, 1980 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 367.1 ± 2.0 | kcal/mol | IMRE | Bartmess, 1980 | gas phase |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 750. | Zenkevich, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 750. | Zenkevich, 1997 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Anonymous, 1954
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 13, Ohio State Univ., 1954. [all data]
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [all data]
Bartmess, 1980
Bartmess, J.E.,
Solvent effects on ion-molecule reactions. Vinyl anions vs. conjugate addition,
J. Am. Chem. Soc., 1980, 102, 2483. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography,
Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents,
Dokl. Akad. Nauk (Rus.), 1997, 353, 5, 625-627. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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