4,4-Dimethoxybutyronitrile
- Formula: C6H11NO2
- Molecular weight: 129.1570
- IUPAC Standard InChI: InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: XJHNCGVHPLDMRK-UHFFFAOYSA-N
- CAS Registry Number: 14618-78-1
- 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: β-Cyanopropionaldehyde dimethylacetal; Butanenitrile, 4,4-dimethoxy-; Cyanopropionaldehyde dimethyl acetal; 3-Cyanopropionaldehyde dimethyl acetal
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -74.39 ± 0.62 | kcal/mol | Ccb | Nurullaev and Karasharli, 1981 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -865.76 ± 0.62 | kcal/mol | Ccb | Nurullaev and Karasharli, 1981 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 70.65 | cal/mol*K | N/A | Geidarov, Karasharli, et al., 1983 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 60.619 | 298.15 | Geidarov, Karasharli, et al., 1983 | T = 55 to 300 K.; DH |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 154. | K | N/A | Geidarov, Karasharli, et al., 1983 | Glassy (solid) to liquid transition. |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1025 |
| NIST MS number | 230686 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TR-5 MS | 1020. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nurullaev and Karasharli, 1981
Nurullaev, G.G.; Karasharli, K.A.,
Thermochemical study of β-cyanopropionaldehyde dimethyl acetal and methyl α-cyanopropinate,
Azerb. Khim. Zh., 1981, 140-144. [all data]
Geidarov, Karasharli, et al., 1983
Geidarov, Kh.I.; Karasharli, K.I.; Guseinov, Z.A.,
Study of the true heat capacity of the dimethyl acetal of β-cyanopropionaldehyde in the temperature range 55-300K,
Azerb. Khim. Zhur., 1983, (5), 98-101. [all data]
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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