1-Butyne
- Formula: C4H6
- Molecular weight: 54.0904
- IUPAC Standard InChIKey: KDKYADYSIPSCCQ-UHFFFAOYSA-N
- CAS Registry Number: 107-00-6
- 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: Butyne-1; Ethylacetylene; Ethylethyne; C2H5C≡CH; Ethyl acetylene, inhibited; UN 2452; but-1-yne
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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
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 | 283. ± 7. | K | AVG | N/A | Average of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 147.28 | K | N/A | Pomerantz, Fookson, et al., 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 147.39 | K | N/A | Boord, Greenlee, et al., 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 147.49 | K | N/A | Boord, Greenlee, et al., 1947 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 147.49 | K | N/A | Boord, Greenlee, et al., 1946 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 150.65 | K | N/A | Morehouse and Maass, 1931 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 147.45 | K | N/A | Aston, Mastrangelo, et al., 1950 | Uncertainty assigned by TRC = 0.08 K; TRC |
Ttriple | 147.41 | K | N/A | Aston, Mastrangelo, et al., 1950 | Uncertainty assigned by TRC = 0.06 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 440. ± 2. | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 463.6 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.0 ± 2.0 | bar | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.208 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.8 ± 0.20 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 23.79 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 23.7 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 23.38 | kJ/mol | V | Aston, Mastrangelo, et al., 1950, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.522 | 281.23 | N/A | Aston, Mastrangelo, et al., 1950, 2 | P = 101.325 kPa; DH |
24.52 | 281.2 | N/A | Majer and Svoboda, 1985 | |
26. | 274. | A | Stephenson and Malanowski, 1987 | Based on data from 205. to 289. K.; AC |
25.8 ± 0.1 | 263. | C | Aston, Mastrangelo, et al., 1950, 2 | AC |
24.5 ± 0.1 | 281. | C | Aston, Mastrangelo, et al., 1950, 2 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
263. to 283. | 43.04 | 0.3654 | 463.6 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
87.20 | 281.23 | Aston, Mastrangelo, et al., 1950, 2 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
194.39 to 282.70 | 4.2402 | 1046.879 | -33.951 | Aston, Mastrangelo, et al., 1950, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.0291 | 147.43 | Aston, Mastrangelo, et al., 1950, 2 | DH |
6.03 | 147.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
40.89 | 147.43 | Aston, Mastrangelo, et al., 1950, 2 | 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.
Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L.,
Synthesis and Physical Properties of Several Acetylenic Hydrocarbons,
J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 51. [all data]
Boord, Greenlee, et al., 1947
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Ninth Annu. Rep., Ohio State Univ., June 30, 1947. [all data]
Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]
Morehouse and Maass, 1931
Morehouse, F.R.; Maass, O.,
The Preparationa and Physical Properties of Ethyl and Methyl Acetylene,
Can. J. Res., 1931, 5, 306. [all data]
Aston, Mastrangelo, et al., 1950
Aston, J.G.; Mastrangelo, S.V.R.; Moessen, G.W.,
The Thermodynamics of 1-Butyne from Calorimetric and Spectroscopic Data. Data,
J. Am. Chem. Soc., 1950, 72, 5287. [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]
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]
Aston, Mastrangelo, et al., 1950, 2
Aston, J.G.; Mastrangelo, S.V.R.; Moessen, G.W.,
The thermodynamics of 1-butyne from calorimetric and spectroscopic data,
J. Am. Chem. Soc., 1950, 72, 5287-5291. [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]
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, 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 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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