Acetaldehyde
- Formula: C2H4O
- Molecular weight: 44.0526
- IUPAC Standard InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N
- CAS Registry Number: 75-07-0
- 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: Acetic aldehyde; Ethanal; Ethyl aldehyde; CH3CHO; Acetaldehyd; Aldehyde acetique; Aldeide acetica; NCI-C56326; Octowy aldehyd; Acetylaldehyde; Rcra waste number U001; UN 1089; NSC 7594
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Gas phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -170.7 ± 1.5 | kJ/mol | Chyd | Wiberg, Crocker, et al., 1991 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.53 | 50. | Thermodynamics Research Center, 1997 | 1 bar. Recommended heat capacity and entropy values are in good agreement with statistically calculated values of [ Pitzer K.S., 1949, 66LIP/WAG]. Discrepancies with results of calculation [ Della Vedova C.O., 1991] amount to 1.4 J/mol*K for S(300 K) and 3.4 J/mol*K for Cp(900 K). S(298.15 K) value calculated by high accuracy ab initio method [ East A.L.L., 1997] is in close agreement with selected one. Please also see Chao J., 1980, Chao J., 1986.; GT |
40.27 | 100. | ||
43.26 | 150. | ||
46.47 | 200. | ||
52.80 | 273.15 | ||
55.32 ± 0.08 | 298.15 | ||
55.51 | 300. | ||
66.28 | 400. | ||
76.68 | 500. | ||
85.94 | 600. | ||
94.04 | 700. | ||
101.07 | 800. | ||
107.19 | 900. | ||
112.49 | 1000. | ||
117.08 | 1100. | ||
121.06 | 1200. | ||
124.50 | 1300. | ||
127.49 | 1400. | ||
130.09 | 1500. | ||
135.22 | 1750. | ||
138.94 | 2000. | ||
141.68 | 2250. | ||
143.75 | 2500. | ||
145.35 | 2750. | ||
146.59 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
54.98 | 298.1 | Chao J., 1986 | These ideal gas heat capacity values were obtained from the observed values of [ Coleman C.F., 1949] using the second virial coefficient data from [ Pitzer K.S., 1949].; GT |
58.03 | 322.9 | ||
62.43 | 372.7 | ||
67.45 | 422.4 |
Phase change data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 294.0 ± 0.8 | K | AVG | N/A | Average of 25 out of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 151. ± 3. | K | AVG | N/A | Average of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 466.0 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 461. | K | N/A | Hollmann, 1903 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 454.7 | K | N/A | Van der Waals, 1881 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 6.49 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.1 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 26.12 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 25.7 | kJ/mol | N/A | Wiberg, Crocker, et al., 1991 | DRB |
ΔvapH° | 26.9 | kJ/mol | EB | Bull, Seregrennaja, et al., 1963 | Based on data from 293. to 377. K. See also Verevkin, Krasnykh, et al., 2003.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
25.76 | 293.3 | N/A | Majer and Svoboda, 1985 | |
26.0 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 377. K.; AC |
27.6 | 283. | A | Stephenson and Malanowski, 1987 | Based on data from 272. to 294. K. See also Dykyj, 1970.; AC |
26.3 | 308. | N/A | Kim and Kim, 1977 | Based on data from 293. to 345. K.; AC |
27.0 | 307. | N/A | Coles and Popper, 1950 | Based on data from 273. to 307. K.; AC |
25.7 ± 0.2 | 294. | V | Coleman and DeVries, 1949 | ALS |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
293.4 to 377.5 | 3.68639 | 822.894 | -69.899 | Bull, Seregrennaja, et al., 1963, 2 | Coefficents calculated by NIST from author's data. |
272.9 to 307.6 | 5.1883 | 1637.083 | 22.317 | Coles and Popper, 1950 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.310 | 149.78 | Lebedev and Vasil'ev, 1988 | DH |
1.72 | 242.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.43 | 149.78 | Lebedev and Vasil'ev, 1988 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.42 | 149.8 | Domalski and Hearing, 1996 | CAL |
7.06 | 242.9 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.716 | 242.9 | liquid | liquid | Lebedev and Vasil'ev, 1988 | Lambda type transition.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.35 | 242.9 | liquid | liquid | Lebedev and Vasil'ev, 1988 | Lambda; DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change 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
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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-9104 |
NIST MS number | 227634 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Pitzer K.S., 1949
Pitzer K.S., Jr.,
Thermodynamics and vibrational spectrum of acetaldehyde,
J. Am. Chem. Soc., 1949, 71, 2842-2844. [all data]
Della Vedova C.O., 1991
Della Vedova C.O.,
Raman and infrared spectra and photochemical behavior of acetaldehyde isolated in matrixes,
J. Raman Spectrosc., 1991, 22, 505-507. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Chao J., 1980
Chao J.,
Perfect gas thermodynamic properties of methanal, ethanal and their deuterated species,
Thermochim. Acta, 1980, 41, 41-54. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Coleman C.F., 1949
Coleman C.F.,
The heat capacity of organic vapors. V. Acetaldehyde,
J. Am. Chem. Soc., 1949, 71, 2839-2841. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. I. 1985 results,
AIChE Symp. Ser., 1990, 86, 279, 115-21. [all data]
Hollmann, 1903
Hollmann, R.,
Physical and natural equilibria between the modifications of aldehyde,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1903, 43, 129-59. [all data]
Van der Waals, 1881
Van der Waals, J.D.,
Continuity of Gas and Liquid Data, 1881,, 1881, Leipzig, p 168. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Bull, Seregrennaja, et al., 1963
Bull, S.S.; Seregrennaja, I.I.; Tsherbakora, P.R.,
Khim. Prom. (Moscow), 1963, 7, 507. [all data]
Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Koutek, Bohumir; Doubsky, Jan; Heintz, Andreas,
Vapor pressures and enthalpies of vaporization of a series of the linear aliphatic aldehydes,
Fluid Phase Equilibria, 2003, 206, 1-2, 331-339, https://doi.org/10.1016/S0378-3812(03)00035-9
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Kim and Kim, 1977
Kim, B.C.; Kim, D.H.,
Hwahak Kwa Hwahak Kongop, 1977, 20, 232. [all data]
Coles and Popper, 1950
Coles, K.F.; Popper, Felix,
Vapor-Liquid Equilibria. Ethylene Oxide - Acetaldehyde and Ethylene Oxide - Water Systems,
Ind. Eng. Chem., 1950, 42, 7, 1434-1438, https://doi.org/10.1021/ie50487a046
. [all data]
Coleman and DeVries, 1949
Coleman, C.F.; DeVries, T.,
The heat capacity of organic vapors. V. Acetaldehyde,
J. Am. Chem. Soc., 1949, 71, 2839-28. [all data]
Bull, Seregrennaja, et al., 1963, 2
Bull, S.Sh.; Seregrennaja, I.I.; Tsherbakora, P.R.,
Isothermic Equilibrium of Liquid-Steam in System Water-Acetoaldehyde,
Khim. Prom. (Moscow), 1963, 7, 507-509. [all data]
Lebedev and Vasil'ev, 1988
Lebedev, B.V.; Vasil'ev, V.G.,
Thermodynamics of ethanal at 0-300 K,
Zhur. Fiz. Khim., 1988, 62, 3099-3102. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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