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
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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:
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. |
References
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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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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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