1-Octene
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N
- CAS Registry Number: 111-66-0
- 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: α-Octene; α-Octylene; n-1-Octene; Caprylene; 1-C8H16; Oct-1-ene; Octene-1; Neodene 8; Octylene; 1-n-Octene; NSC 8457; SHOP C8
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -19.82 | kcal/mol | Chyd | Bretschneider and Rogers, 1970 | |
ΔfH°gas | -19.82 | kcal/mol | Ccb | Rockenfeller and Rossini, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 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 | 395. ± 2. | K | AVG | N/A | Average of 60 out of 61 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 171. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 171.46 | K | N/A | McCullough, Finke, et al., 1957 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 567.0 ± 0.8 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 566.6 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 566.55 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.05 K; Visual, PRT, IPTS-48, with decomp.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 26.4 ± 0.8 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.468 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.1 ± 0.08 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.665 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 9.70 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 373. to 423. K.; AC |
ΔvapH° | 9.625 ± 0.048 | kcal/mol | C | Mansson, Sellers, et al., 1977 | ALS |
ΔvapH° | 9.63 ± 0.05 | kcal/mol | C | Månsson, Sellers, et al., 1977 | AC |
ΔvapH° | 9.1 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.143 | 394.4 | N/A | Majer and Svoboda, 1985 | |
9.27 | 332. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 317. to 395. K. See also Forziati, Camin, et al., 1950.; AC |
9.44 ± 0.02 | 313. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.23 ± 0.02 | 328. | C | Svoboda, Charvátová, et al., 1982 | AC |
8.99 ± 0.02 | 343. | C | Svoboda, Charvátová, et al., 1982 | AC |
8.75 ± 0.02 | 358. | C | Svoboda, Charvátová, et al., 1982 | AC |
8.56 ± 0.02 | 368. | C | Svoboda, Charvátová, et al., 1982 | AC |
9.61 | 277. | MM | Chickos, Hyman, et al., 1981 | Based on data from 263. to 291. K.; AC |
9.85 | 275. | HSA | Chickos, Hyman, et al., 1981 | Based on data from 260. to 291. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 368. | 13.74 | 0.2772 | 566.6 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|
318.04 to 395.37 | 4.05181 | 1353.486 | -60.386 | Forziati, Camin, et al., 1950, 2 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.6599 | 171.46 | McCullough, Finke, et al., 1957, 2 | DH |
3.659 | 171.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.35 | 171.46 | McCullough, Finke, et al., 1957, 2 | DH |
Gas phase ion energetics data
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.43 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.427 ± 0.006 | PI | Rang, Martinson, et al., 1974 | LLK |
9.43 ± 0.01 | PI | Demeo and El-Sayed, 1970 | RDSH |
9.60 ± 0.01 | PE | Krause, Taylor, et al., 1978 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bretschneider and Rogers, 1970
Bretschneider, E.; Rogers, D.W.,
A new microcalorimeter: heats of hydrogenation of four monoolefins,
Mikrochim. Acta, 1970, 482-490. [all data]
Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D.,
Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 267-272. [all data]
McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G.,
Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state,
J. Phys. Chem., 1957, 61, 289. [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]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [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]
Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
J. Chem. Thermodyn., 1977, 9, 91. [all data]
Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6
. [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]
Forziati, Camin, et al., 1950
Forziati, A.F.; Camin, D.L.; Rossini, F.D.,
Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons,
J. RES. NATL. BUR. STAN., 1950, 45, 5, 406, https://doi.org/10.6028/jres.045.044
. [all data]
Svoboda, Charvátová, et al., 1982
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Hynek, Vladimír,
Determination of heats of vaporization and some other thermodynamic properties for four substituted hydrocarbons,
Collect. Czech. Chem. Commun., 1982, 47, 2, 543-549, https://doi.org/10.1135/cccc19820543
. [all data]
Chickos, Hyman, et al., 1981
Chickos, James S.; Hyman, Arthur S.; Ladon, Liina H.; Liebman, Joel F.,
Measurement and estimation of the heats of vaporization of hydrocarbons,
J. Org. Chem., 1981, 46, 21, 4294-4296, https://doi.org/10.1021/jo00334a040
. [all data]
Forziati, Camin, et al., 1950, 2
Forziati, a.F.; Camin, D.L.; Rossini, F.D.,
Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons,
J. Res. NBS, 1950, 45, 406-410. [all data]
McCullough, Finke, et al., 1957, 2
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G.,
Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state,
J. Phys. Chem., 1957, 61, 289-301. [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]
Rang, Martinson, et al., 1974
Rang, S.; Martinson, E.; Muurisepp, M.,
Ionization potentials of unsaturated hydrocarbons. 1. n-Alkenes, Eesti NSV Teaduste Akadeemia Toimetised 23,
Eesti. NSV Tead. Akad. Toim., 1974, 352. [all data]
Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A.,
Ionization potential and structure of olefins,
J. Chem. Phys., 1970, 52, 2622. [all data]
Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F.,
An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes,
J. Am. Chem. Soc., 1978, 100, 718. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume 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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