1-Butene
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VXNZUUAINFGPBY-UHFFFAOYSA-N
- CAS Registry Number: 106-98-9
- 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: α-Butene; α-Butylene; But-1-ene; Butene-1; Ethylethylene; 1-Butylene; 1-C4H8
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, UV/Visible spectrum, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 54.747 | cal/mol*K | N/A | Takeda, Yamamuro, et al., 1991 | |
S°liquid | 54.25 | cal/mol*K | N/A | Chao, Hall, et al., 1983 | |
S°liquid | 51.109 | cal/mol*K | N/A | Aston, Fink, et al., 1946 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.822 | 298.15 | Takeda, Yamamuro, et al., 1991 | T = 5 to 300 K. |
28.2 | 298.15 | Chao, Hall, et al., 1983 | T = 12 to 360 K. |
30.74 | 294. | Schlinger and Sage, 1949 | T = 294 to 378 K. Cp given as 0.548 Btu/lb*R at 70°F at bubble point. |
28.549 | 260. | Aston, Fink, et al., 1946 | T = 11.5 to 260 K. |
28.480 | 253.4 | Todd and Parks, 1936 | T = 81 to 253 K. Value is unsmoothed experimental datum. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, UV/Visible spectrum, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 266.8 ± 0.5 | K | AVG | N/A | Average of 15 out of 17 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 87.800 | K | N/A | Takeda, Yamamuro, et al., 1991, 2 | Uncertainty assigned by TRC = 0.005 K; TRC |
Ttriple | 87.82 | K | N/A | Chao, Hall, et al., 1983, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 87.8 | K | N/A | Aston, Finke, et al., 1946 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 87.83 | K | N/A | Aston, Finke, et al., 1946 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 419.5 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 419.6 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 417.15 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.7 ± 0.5 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.2408 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.15 ± 0.05 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 4.990 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 4.80 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2261 | 266.91 | N/A | Aston, Fink, et al., 1946 | P = 101.325 kPa; DH |
5.275 | 266.9 | N/A | Majer and Svoboda, 1985 | |
5.57 | 259. | A | Stephenson and Malanowski, 1987 | Based on data from 200. to 274. K.; AC |
6.76 | 177. | A | Stephenson and Malanowski, 1987 | Based on data from 126. to 192. K.; AC |
5.45 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 345. K.; AC |
5.26 | 357. | A | Stephenson and Malanowski, 1987 | Based on data from 342. to 411. K.; AC |
5.38 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 411. K.; AC |
5.6647 | 202. | C | Aston, Fink, et al., 1946 | ALS |
6.05 | 202. | N/A | Aston, Fink, et al., 1946 | AC |
5.86 | 219. | N/A | Aston, Fink, et al., 1946 | AC |
5.57 | 242. | N/A | Aston, Fink, et al., 1946 | AC |
5.23 | 267. | N/A | Aston, Fink, et al., 1946 | AC |
5.54 | 258. | N/A | Lamb and Roper, 1940 | Based on data from 216. to 273. K. See also Boublik, Fried, et al., 1984.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 203. to 378. |
---|---|
A (kcal/mol) | 7.770 |
α | 0.0052 |
β | 0.38 |
Tc (K) | 419.6 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.58 | 266.91 | Aston, Fink, et al., 1946 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
195.7 to 269.4 | 4.24125 | 1099.207 | -8.256 | Coffin and Maass, 1928, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.94613 | 87.81 | Takeda, Yamamuro, et al., 1991 | DH |
0.9197 | 87.82 | Chao, Hall, et al., 1983 | DH |
0.9199 | 87.82 | Aston, Fink, et al., 1946 | DH |
0.920 | 87.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.78 | 87.81 | Takeda, Yamamuro, et al., 1991 | DH |
10.5 | 87.82 | Chao, Hall, et al., 1983 | DH |
10.48 | 87.82 | Aston, Fink, et al., 1946 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
UV/Visible spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Samson, Marmo, et al., 1962 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20 |
Instrument | n.i.g. |
Melting point | -185.3 |
Boiling point | -6.2 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Takeda, Yamamuro, et al., 1991
Takeda, K.; Yamamuro, O.; Suga, H.,
Thermodynamic study of 1-butene. Exothermic and endothermic enthalpy relaxations near the glass transition,
J. Phys. Chem. Solids, 1991, 22, 607-615. [all data]
Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic properties of simple alkenes,
Thermochim. Acta, 1983, 64(3), 285-303. [all data]
Aston, Fink, et al., 1946
Aston, J.G.; Fink, H.L.; Bestul, A.B.; Pace, E.L.; Szasz, G.J.,
The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of butene-1. The zero point entropy of the glass. The entropy of the gas from molecular data,
J. Am. Chem. Soc., 1946, 68, 52-57. [all data]
Schlinger and Sage, 1949
Schlinger, W.G.; Sage, B.H.,
Isobaric heat capacity of 1-butene and 1-pentene at bubble point,
Ind. Eng. Chem., 1949, 41, 1779-1782. [all data]
Todd and Parks, 1936
Todd, S.S.; Parks, G.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Takeda, Yamamuro, et al., 1991, 2
Takeda, K.; Yamamuro, O.; Suga, H.,
Thermodynamic study of 1-butene. Exothermic and endothermic enthalpy relaxations near the glass transition,
J. Phys. Chem. Solids, 1991, 52, 607. [all data]
Chao, Hall, et al., 1983, 2
Chao, J.; Hall, K.R.; Yao, J.M.,
Thermodynamic Properties of Simple Alkenes,
Thermochim. Acta, 1983, 64, 285. [all data]
Aston, Finke, et al., 1946
Aston, J.G.; Finke, H.L.; Bestul, A.B.; Pace, E.L.; Szasz, G.J.,
The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressure of Butene-1. The Zero Point Entropy of the Glass. The Entropy of the Gas from Molecular Data,
J. Am. Chem. Soc., 1946, 68, 52. [all data]
Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons,
J. Chem. Eng. Data, 1996, 41, 645-656. [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]
Coffin and Maass, 1928
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α-,β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 1427-37. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [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]
Lamb and Roper, 1940
Lamb, Arthur B.; Roper, Edwin E.,
The Vapor Pressures of Certain Unsaturated Hydrocarbons,
J. Am. Chem. Soc., 1940, 62, 4, 806-814, https://doi.org/10.1021/ja01861a032
. [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]
Coffin and Maass, 1928, 2
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α, β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 5, 1427-1437, https://doi.org/10.1021/ja01392a028
. [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]
Samson, Marmo, et al., 1962
Samson, J.A.R.; Marmo, F.F.; Watanabe, K.,
Absorption and photoionization coefficients of propylene and butene-1 in the vacuum ultraviolet,
J. Chem. Phys., 1962, 36, 3, 783-786. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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