Butanal
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
- CAS Registry Number: 123-72-8
- 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. - Other names: Butyraldehyde; n-Butanal; n-Butyl aldehyde; n-Butyraldehyde; Butal; Butaldehyde; Butanaldehyde; Butyl aldehyde; Butyral; Butyric aldehyde; Butyrylaldehyde; n-C3H7CHO; Aldehyde butyrique; Aldeide butirrica; Butalyde; Butyraldehyd; NCI-C56291; UN 1129; 1-Butanal; Butan-1-al; NSC 62779
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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 |
---|---|---|---|---|---|
Tboil | 348. ± 2. | K | AVG | N/A | Average of 31 out of 33 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 176. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 176.28 | K | N/A | Vasil'ev and Lebedev, 1989 | Uncertainty assigned by TRC = 0.02 K; corrected to 100 % purity by extrapolation; TRC |
Ttriple | 176.8 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 176.8 | K | N/A | Parks, Kennedy, et al., 1956 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 537.1 | K | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 4. K; TRC |
Tc | 537.2 | K | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.8 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.64 | atm | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.987 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.88 | mol/l | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 0.07 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.93 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 313. to 353. K.; AC |
ΔvapH° | 8.03 | kcal/mol | N/A | Wiberg, Crocker, et al., 1991 | DRB |
ΔvapH° | 8.05 ± 0.1 | kcal/mol | EB | Buckley and Cox, 1967 | See also Verevkin, Krasnykh, et al., 2003.; AC |
ΔvapH° | 8.1 ± 0.1 | kcal/mol | V | Buckley and Cox, 1967, 2 | ALS |
ΔvapH° | 8.05 | kcal/mol | N/A | Buckley and Cox, 1967, 2 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.17 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 349. K.; AC |
7.86 | 339. | EB | Wojtasinski, 1963 | Based on data from 330. to 348. K.; AC |
7.96 | 319. | N/A | Seprakova, Paulech, et al., 1959 | Based on data from 304. to 347. K. See also Boublik, Fried, et al., 1984.; AC |
8.10 | 306. | N/A | Kuchinskaya, 1938 | Based on data from 258. to 353. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
303.86 to 347.18 | 3.58541 | 952.851 | -82.569 | Seprakova, Paulech, et al., 1959, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.5748 | 176.28 | Vasil'ev and Lebedev, 1989, 2 | DH |
2.651 | 176.8 | Domalski and Hearing, 1996 | See also Vasil'ev and Lebedev, 1989.; AC |
2.6539 | 176.8 | Parks, Kennedy, et al., 1956, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.61 | 176.28 | Vasil'ev and Lebedev, 1989, 2 | DH |
15.01 | 176.8 | Parks, Kennedy, et al., 1956, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0184 | 192.2 | liquid | liquid | Vasil'ev and Lebedev, 1989, 2 | T = 180 to 210 K.; DH |
0.0152 | 284.8 | liquid | liquid | Vasil'ev and Lebedev, 1989, 2 | T = 260 to 280 K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0927 | 192.2 | liquid | liquid | Vasil'ev and Lebedev, 1989, 2 | T; DH |
0.0533 | 284.8 | liquid | liquid | Vasil'ev and Lebedev, 1989, 2 | T; DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vasil'ev and Lebedev, 1989
Vasil'ev, V.G.; Lebedev, B.V.,
Thermodynamics of butanal in the temperature range 0-330 K,
Zh. Obshch. Khim., 1989, 59, 11, 2415. [all data]
Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R.,
Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases,
J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]
Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal Data on Organic Compounds XXVI. Some Heat Capacity, Entropy and Free Energy Data for Seven Compounds Containing Oxygen,
J. Am. Chem. Soc., 1956, 78, 56-9. [all data]
Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S.,
The critical properties of rapidly reacting substances,
AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]
Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J.,
The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus,
AIChE Symp. Ser., 1990, 86, 279, 133-7. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
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]
Buckley and Cox, 1967
Buckley, E.; Cox, J.D.,
Chemical equilibria. Part 2.?Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895, https://doi.org/10.1039/tf9676300895
. [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]
Buckley and Cox, 1967, 2
Buckley, E.; Cox, J.D.,
Chemical equilibria. Part 2.-Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895-901. [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]
Wojtasinski, 1963
Wojtasinski, Jerome G.,
Measurement of Total Pressures for Determining Liquid-Vapor Equilibrium Relations of the Binary System Isobutyraldehyde n-Butyraldehyde.,
J. Chem. Eng. Data, 1963, 8, 3, 381-385, https://doi.org/10.1021/je60018a028
. [all data]
Seprakova, Paulech, et al., 1959
Seprakova, M.; Paulech, J.; Dykyj, J.,
Chem. Zvesti, 1959, 13, 5, 313. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Kuchinskaya, 1938
Kuchinskaya, K.,
Vapor pressures of pure substances,
Sbornik Trudov Opytnogo Zavoda im. Akad. S. V. Lebedeva, 1938, 27-30. [all data]
Seprakova, Paulech, et al., 1959, 2
Seprakova, M.; Paulech, J.; Dykyj, J.,
Dampfdruck der Butyraldehyde,
Chem. Zvesti, 1959, 13, 313-316. [all data]
Vasil'ev and Lebedev, 1989, 2
Vasil'ev, V.G.; Lebedev, B.V.,
Thermodynamics of butanal in the temperature range 0-330K,
Zh. Obshch. Khim., 1989, 59(11), 2415-2420. [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]
Parks, Kennedy, et al., 1956, 2
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen.,
Not In System, 1956, 78, 56-59. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.