ch2chcho h2

Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
AcroleinCH2CHCHO (g, cis)C=CC=O-46.6-56.9± 1.4kJ/mol56.0633 ±

Representative Geometry of CH2CHCHO (g, cis)

spin ON           spin OFF           

Top contributors đồ sộ the provenance of ΔfH° of CH2CHCHO (g, cis)

The 17 contributors listed below trương mục for 90.5% of the provenance of ΔfH° of CH2CHCHO (g, cis).

Please note: The list is limited đồ sộ đôi mươi most important contributors or, if less, a number sufficient đồ sộ trương mục for 90% of the provenance. The Reference acts as a further links đồ sộ the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either đồ sộ the value proposed by the original authors or đồ sộ our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds đồ sộ the factor by which the prior uncertainty needed đồ sộ be multiplied during the ATcT analysis in order đồ sộ make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.

Bạn đang xem: ch2chcho h2

Reaction Measured Quantity Reference
13.05481.5 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.43 ± 0.85 kcal/molRuscic W1RO
11.65481.4 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.45 ± 0.90 kcal/molRuscic CBS-n
11.65481.2 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.05 ± 0.90 kcal/molRuscic G4
11.65481.1 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.40 ± 0.90 kcal/molRuscic G3X
9.45481.3 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.25 ± 1.0 kcal/molRuscic CBS-n
5.35483.5 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.06 ± 0.85 kcal/molRuscic W1RO
4.75483.2 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.09 ± 0.90 kcal/molRuscic G4
4.75483.4 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.06 ± 0.90 kcal/molRuscic CBS-n
4.75483.1 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.09 ± 0.90 kcal/molRuscic G3X
3.85483.3 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.05 ± 1.0 kcal/molRuscic CBS-n
1.65480.5 CH2CHCHO (g, trans)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 3.49 ± 0.85 kcal/molRuscic W1RO
1.55480.1 CH2CHCHO (g, trans)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 3.50 ± 0.90 kcal/molRuscic G3X
1.55480.4 CH2CHCHO (g, trans)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 3.51 ± 0.90 kcal/molRuscic CBS-n
1.55480.2 CH2CHCHO (g, trans)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 3.14 ± 0.90 kcal/molRuscic G4
1.33070.1 CH2CHCHCH2 (g)&nbsp+ 2 H2 (g)&nbsp→ CH3CH2CH2CH3 (g)&nbspΔrH&deg(355.15 K) = -57.079 ± 0.10 kcal/molKistiakowsky 1936, Prosen 1945c
1.25480.3 CH2CHCHO (g, trans)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 3.30 ± 1.0 kcal/molRuscic CBS-n
0.75484.5 CH2CHCHO (g, trans)&nbsp→ CH3CHCO (g)&nbspΔrH&deg(0 K) = 0.29 ± 1.2 kcal/molRuscic W1RO

Top 10 species with enthalpies of formation correlated đồ sộ the ΔfH° of CH2CHCHO (g, cis)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
The correlation coefficient is a number from -1 đồ sộ 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.
Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
45.9 AcroleinCH2CHCHO (g, trans)C=CC=O-55.3-65.7± 1.2kJ/mol56.0633 ±
45.9 AcroleinCH2CHCHO (g)C=CC=O-55.3-65.4± 1.2kJ/mol56.0633 ±
39.3 AcroleinCH2CHCHO (cr,l)C=CC=O-95.8± 1.4kJ/mol56.0633 ±
20.6 1,3-ButadieneCH2CHCHCH2 (g)C=CC=C125.30110.82± 0.36kJ/mol54.0904 ±
9.4 n-ButaneCH3CH2CH2CH3 (g)CCCC-98.47-125.78± 0.25kJ/mol58.1222 ±
8.9 MethylketeneCH3CHCO (g)CC=C=O-54.7-64.2± 1.1kJ/mol56.0633 ±
6.2 FormaldehydeCH2O (g)C=O-105.377-109.215± 0.097kJ/mol30.02598 ±
6.2 FormaldehydeCH2O (g, singlet)C=O-105.377-109.215± 0.097kJ/mol30.02598 ±
6.2 FormaldehydeCH2O (g, triplet)C=O196.014192.683± 0.097kJ/mol30.02598 ±
6.2 FormylHCO (g)[CH]=O41.39341.770± 0.097kJ/mol29.01804 ±

Most Influential reactions involving CH2CHCHO (g, cis)

Please note: The list, which is based on a hat (projection) matrix analysis, is limited đồ sộ no more than thở đôi mươi largest influences.
Reaction Measured Quantity Reference
0.1405483.5 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.06 ± 0.85 kcal/molRuscic W1RO
0.1405481.5 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.43 ± 0.85 kcal/molRuscic W1RO
0.1245481.2 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.05 ± 0.90 kcal/molRuscic G4
0.1245483.1 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.09 ± 0.90 kcal/molRuscic G3X
0.1245481.4 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.45 ± 0.90 kcal/molRuscic CBS-n
0.1245481.1 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.40 ± 0.90 kcal/molRuscic G3X
0.1245483.2 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.09 ± 0.90 kcal/molRuscic G4
0.1245483.4 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.06 ± 0.90 kcal/molRuscic CBS-n
0.1015483.3 CH2CHCHO (g, trans)&nbsp→ CH2CHCHO (g, cis)&nbspΔrH&deg(0 K) = 2.05 ± 1.0 kcal/molRuscic CBS-n
0.1015481.3 CH2CHCHO (g, cis)&nbsp+ CH2CH2 (g)&nbsp→ CH2CHCHCH2 (g)&nbsp+ CH2O (g)&nbspΔrH&deg(0 K) = 1.25 ± 1.0 kcal/molRuscic CBS-n

1   B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction đồ sộ Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2   B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3   B. Ruscic and D. H. Bross,
Active Thermochemical Tables (ATcT) values based on ver. 1.122p of the Thermochemical Network (2020); available at
4   P. B. Changala, T. L. Nguyen, J. H. Baraban, G. B. Ellison, J. F. Stanton, D. H. Bross, and B. Ruscic,
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide.
J. Phys. Chem. A 121, 8799-8806 (2017) [DOI: 10.1021/acs.jpca.7b06221] (highlighted on the journal cover)
5   D. Feller, D. H. Bross, and B. Ruscic,
Enthalpy of Formation of N2H4 (Hydrazine) Revisited.
J. Phys. Chem. A 121, 6187-6198 (2017) [DOI: 10.1021/acs.jpca.7b06017]
6   B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]

Formula The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties The listed uncertainties correspond đồ sộ estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits The reorganization of the trang web was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3 chiều.
Acknowledgement This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.

Xem thêm: Tác dụng chữa bệnh của hoa đu đủ đực ít người biết